1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one

C79H79N17O3 — CID 158662445

IUPAC1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCCC1CCC(n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.CN(C)C1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.CNC1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C27H28N6O.C26H26N6O.C26H25N5O/c1-31(2)19-8-10-20(11-9-19)33-26-24(32(3)27(33)34)16-29-23-13-12-22(30-25(23)26)18-14-17-6-4-5-7-21(17)28-15-18;1-27-18-7-9-19(10-8-18)32-25-23(31(2)26(32)33)15-29-22-12-11-21(30-24(22)25)17-13-16-5-3-4-6-20(16)28-14-17;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/h4-7,12-16,19-20H,8-11H2,1-3H3;3-6,11-15,18-19,27H,7-10H2,1-2H3;3-6,11-16,19H,2,7-10H2,1H3,(H,30,32)
InChIKeyICXPTDAESHYAPD-UHFFFAOYSA-N
MW1314.62 g/mol
LogP14.37
Rot. Bonds9

About 1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one

1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 158662445) has the molecular formula C79H79N17O3 and a molecular weight of 1314.62 g/mol. Its IUPAC name is 1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID158662445
Molecular FormulaC79H79N17O3
Molecular Weight1314.62 g/mol
Exact Mass1313.66
IUPAC Name1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCCC1CCC(n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.CN(C)C1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.CNC1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C27H28N6O.C26H26N6O.C26H25N5O/c1-31(2)19-8-10-20(11-9-19)33-26-24(32(3)27(33)34)16-29-23-13-12-22(30-25(23)26)18-14-17-6-4-5-7-21(17)28-15-18;1-27-18-7-9-19(10-8-18)32-25-23(31(2)26(32)33)15-29-22-12-11-21(30-24(22)25)17-13-16-5-3-4-6-20(16)28-14-17;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/h4-7,12-16,19-20H,8-11H2,1-3H3;3-6,11-15,18-19,27H,7-10H2,1-2H3;3-6,11-16,19H,2,7-10H2,1H3,(H,30,32)
InChIKeyICXPTDAESHYAPD-UHFFFAOYSA-N
XLogP14.37
TPSA222.93 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001314.62
LogP ≤ 514.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one with MolForge

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Related Compounds

(1S,4S)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 163286309
3-Methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 45255192
Methyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
CID 45255193
1-[1-(2-Aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379592
8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride
CID 44533968
8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(6-methyl-2-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride
CID 44534248
1-(1-Ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 45254980
N-methyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide
CID 45255194
N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide
CID 45255195
3-Methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 45255196
1-[1-(2-Amino-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379549
1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379599

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 158662445) is 1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one is CCC1CCC(n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.CN(C)C1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.CNC1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.
What is the InChIKey of 1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is ICXPTDAESHYAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O.C26H26N6O.C26H25N5O/c1-31(2)19-8-10-20(11-9-19)33-26-24(32(3)27(33)34)16-29-23-13-12-22(30-25(23)26)18-14-17-6-4-5-7-21(17)28-15-18;1-27-18-7-9-19(10-8-18)32-25-23(31(2)26(32)33)15-29-22-12-11-21(30-24(22)25)17-13-16-5-3-4-6-20(16)28-14-17;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/h4-7,12-16,19-20H,8-11H2,1-3H3;3-6,11-15,18-19,27H,7-10H2,1-2H3;3-6,11-16,19H,2,7-10H2,1H3,(H,30,32).
What are the key properties of 1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 1314.62 g/mol, XLogP of 14.37, 9 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)cyclohexyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;3-methyl-1-[4-(methylamino)cyclohexyl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 158662445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).