ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine

C106H113ClN20O7 — CID 161004918

IUPACethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine
SMILESC.CCC1CCC(n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1Cl.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1NC1CCC(NC)CC1.CNC1CCC(N)CC1.CNC1CCC(Nc2c(C(=O)O)cnc3ccc(-c4cnc5ccccc5c4)nc23)CC1
InChIInChI=1S/C27H29N5O2.C26H25N5O.C25H25N5O2.C20H14ClN3O2.C7H16N2.CH4/c1-3-34-27(33)21-16-30-24-13-12-23(18-14-17-6-4-5-7-22(17)29-15-18)32-26(24)25(21)31-20-10-8-19(28-2)9-11-20;1-2-16-7-9-19(10-8-16)31-25-23(30-26(31)32)15-28-22-12-11-21(29-24(22)25)18-13-17-5-3-4-6-20(17)27-14-18;1-26-17-6-8-18(9-7-17)29-23-19(25(31)32)14-28-22-11-10-21(30-24(22)23)16-12-15-4-2-3-5-20(15)27-13-16;1-2-26-20(25)14-11-23-17-8-7-16(24-19(17)18(14)21)13-9-12-5-3-4-6-15(12)22-10-13;1-9-7-4-2-6(8)3-5-7;/h4-7,12-16,19-20,28H,3,8-11H2,1-2H3,(H,30,31);3-6,11-16,19H,2,7-10H2,1H3,(H,30,32);2-5,10-14,17-18,26H,6-9H2,1H3,(H,28,29)(H,31,32);3-11H,2H2,1H3;6-7,9H,2-5,8H2,1H3;1H4
InChIKeyTWJMISZLISAMDF-UHFFFAOYSA-N
MW1814.66 g/mol
LogP20.87
Rot. Bonds18

About ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine

ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine (PubChem CID 161004918) has the molecular formula C106H113ClN20O7 and a molecular weight of 1814.66 g/mol. Its IUPAC name is ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Nameethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine
PubChem CID161004918
Molecular FormulaC106H113ClN20O7
Molecular Weight1814.66 g/mol
Exact Mass1812.88
IUPAC Nameethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine
SMILESC.CCC1CCC(n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1Cl.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1NC1CCC(NC)CC1.CNC1CCC(N)CC1.CNC1CCC(Nc2c(C(=O)O)cnc3ccc(-c4cnc5ccccc5c4)nc23)CC1
InChIInChI=1S/C27H29N5O2.C26H25N5O.C25H25N5O2.C20H14ClN3O2.C7H16N2.CH4/c1-3-34-27(33)21-16-30-24-13-12-23(18-14-17-6-4-5-7-22(17)29-15-18)32-26(24)25(21)31-20-10-8-19(28-2)9-11-20;1-2-16-7-9-19(10-8-16)31-25-23(30-26(31)32)15-28-22-12-11-21(29-24(22)25)18-13-17-5-3-4-6-20(17)27-14-18;1-26-17-6-8-18(9-7-17)29-23-19(25(31)32)14-28-22-11-10-21(30-24(22)23)16-12-15-4-2-3-5-20(15)27-13-16;1-2-26-20(25)14-11-23-17-8-7-16(24-19(17)18(14)21)13-9-12-5-3-4-6-15(12)22-10-13;1-9-7-4-2-6(8)3-5-7;/h4-7,12-16,19-20,28H,3,8-11H2,1-2H3,(H,30,31);3-6,11-16,19H,2,7-10H2,1H3,(H,30,32);2-5,10-14,17-18,26H,6-9H2,1H3,(H,28,29)(H,31,32);3-11H,2H2,1H3;6-7,9H,2-5,8H2,1H3;1H4
InChIKeyTWJMISZLISAMDF-UHFFFAOYSA-N
XLogP20.87
TPSA368.54 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001814.66
LogP ≤ 520.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine with MolForge

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Related Compounds

4-({1-[(Benzyloxy)carbonyl]piperidin-4-yl}amino)-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid
CID 58379645
Ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate
CID 58379659
4-[[4-(Phenylmethoxycarbonylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid
CID 70230355
disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide
CID 157234342
CID 157487542
CID 157487542
6-Chloro-4-(3-methylanilino)-1,5-naphthyridine-3-carboxylic acid;ethyl 6-chloro-4-(3-methylanilino)-1,5-naphthyridine-3-carboxylate
CID 157878120
Cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate
CID 158243940
2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid
CID 158306522
benzyl 4-aminopiperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate;benzyl 4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;3-methyl-1-piperidin-4-yl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid
CID 158543183
2,4-dichloropyridine-3-carbaldehyde;(3S,5R)-3,5-dimethylpiperidine;ethyl 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate;ethyl 2-(3H-indol-2-yl)acetate
CID 158624914
(4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid
CID 158987665
Bis(6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid);methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane
CID 159444530

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine (CID 161004918) is ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine is C.CCC1CCC(n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1Cl.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1NC1CCC(NC)CC1.CNC1CCC(N)CC1.CNC1CCC(Nc2c(C(=O)O)cnc3ccc(-c4cnc5ccccc5c4)nc23)CC1.
What is the InChIKey of ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine?
The InChIKey is TWJMISZLISAMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2.C26H25N5O.C25H25N5O2.C20H14ClN3O2.C7H16N2.CH4/c1-3-34-27(33)21-16-30-24-13-12-23(18-14-17-6-4-5-7-22(17)29-15-18)32-26(24)25(21)31-20-10-8-19(28-2)9-11-20;1-2-16-7-9-19(10-8-16)31-25-23(30-26(31)32)15-28-22-12-11-21(29-24(22)25)18-13-17-5-3-4-6-20(17)27-14-18;1-26-17-6-8-18(9-7-17)29-23-19(25(31)32)14-28-22-11-10-21(30-24(22)23)16-12-15-4-2-3-5-20(15)27-13-16;1-2-26-20(25)14-11-23-17-8-7-16(24-19(17)18(14)21)13-9-12-5-3-4-6-15(12)22-10-13;1-9-7-4-2-6(8)3-5-7;/h4-7,12-16,19-20,28H,3,8-11H2,1-2H3,(H,30,31);3-6,11-16,19H,2,7-10H2,1H3,(H,30,32);2-5,10-14,17-18,26H,6-9H2,1H3,(H,28,29)(H,31,32);3-11H,2H2,1H3;6-7,9H,2-5,8H2,1H3;1H4.
What are the key properties of ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine?
ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine has a molecular weight of 1814.66 g/mol, XLogP of 20.87, 18 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 161004918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).