N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate

C82H77Cl4N15O9 — CID 160654160

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2ncccc2c1.COC(=O)c1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.OCc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C27H29ClN6O3.C22H21ClN6O.C12H11NO2.C11H8ClNO2.C10H8ClNO/c1-16-8-24(33-26(36)37-27(3,4)5)32-17(2)22(16)13-30-25(35)20-11-31-34(15-20)14-18-6-7-23-19(9-18)10-21(28)12-29-23;1-13-5-21(24)28-14(2)19(13)10-26-22(30)17-8-27-29(12-17)11-15-3-4-20-16(6-15)7-18(23)9-25-20;1-2-15-12(14)10-5-6-11-9(8-10)4-3-7-13-11;1-15-11(14)7-2-3-10-8(4-7)5-9(12)6-13-10;11-9-4-8-3-7(6-13)1-2-10(8)12-5-9/h6-12,15H,13-14H2,1-5H3,(H,30,35)(H,32,33,36);3-9,12H,10-11H2,1-2H3,(H2,24,28)(H,26,30);3-8H,2H2,1H3;2-6H,1H3;1-5,13H,6H2
InChIKeyRKVAVOPYIUTLCL-UHFFFAOYSA-N
MW1558.43 g/mol
LogP16.55
Rot. Bonds15

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate (PubChem CID 160654160) has the molecular formula C82H77Cl4N15O9 and a molecular weight of 1558.43 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate
PubChem CID160654160
Molecular FormulaC82H77Cl4N15O9
Molecular Weight1558.43 g/mol
Exact Mass1555.48
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2ncccc2c1.COC(=O)c1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.OCc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C27H29ClN6O3.C22H21ClN6O.C12H11NO2.C11H8ClNO2.C10H8ClNO/c1-16-8-24(33-26(36)37-27(3,4)5)32-17(2)22(16)13-30-25(35)20-11-31-34(15-20)14-18-6-7-23-19(9-18)10-21(28)12-29-23;1-13-5-21(24)28-14(2)19(13)10-26-22(30)17-8-27-29(12-17)11-15-3-4-20-16(6-15)7-18(23)9-25-20;1-2-15-12(14)10-5-6-11-9(8-10)4-3-7-13-11;1-15-11(14)7-2-3-10-8(4-7)5-9(12)6-13-10;11-9-4-8-3-7(6-13)1-2-10(8)12-5-9/h6-12,15H,13-14H2,1-5H3,(H,30,35)(H,32,33,36);3-9,12H,10-11H2,1-2H3,(H2,24,28)(H,26,30);3-8H,2H2,1H3;2-6H,1H3;1-5,13H,6H2
InChIKeyRKVAVOPYIUTLCL-UHFFFAOYSA-N
XLogP16.55
TPSA321.25 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001558.43
LogP ≤ 516.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 4-[3-[[6-[1-[[8-chloro-6-[6-cyano-5-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]amino]-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinolin-3-yl]methyl]pyrazol-3-yl]-5-(8-chloroquinolin-6-yl)-3-cyanopyrazin-2-yl]amino]propanoylamino]benzoate
CID 156450041
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;2-amino-5-methylbenzoic acid;methyl 6-methylquinoline-8-carboxylate
CID 157072364
methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid
CID 157079642
CID 157145235
CID 157145235
acetyl acetate;tert-butyl N-[2-[2-oxo-2-(2-piperidin-1-ylquinolin-6-yl)ethyl]phenyl]carbamate;methyl 2-chloroquinoline-6-carboxylate;methyl 1-oxidoquinolin-1-ium-6-carboxylate;methyl 2-oxo-1H-quinoline-6-carboxylate;methyl 2-piperidin-1-ylquinoline-6-carboxylate;methyl quinoline-6-carboxylate;2-piperidin-1-ylquinoline-6-carboxylic acid
CID 157210072
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 157302655
3-(3-Chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 157420722
ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 157455421
3-(3,5-Dichlorophenyl)-3-[[3-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-(3,5-dichlorophenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate
CID 157646666
5-(Aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;bis(methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate);hydrochloride
CID 157679780
5-(aminomethyl)-6-methyl-N-(2-phenylmethoxyethyl)pyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[2-methyl-6-(2-phenylmethoxyethylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 157779352
bis(N-[(1-aminoisoquinolin-6-yl)methyl]-1-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-3-cyanopyrazole-4-carboxamide);6-(aminomethyl)isoquinolin-1-amine;1-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-3-cyanopyrazole-4-carboxylic acid;hydrochloride
CID 157892122

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate (CID 160654160) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate is CCOC(=O)c1ccc2ncccc2c1.COC(=O)c1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.OCc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate?
The InChIKey is RKVAVOPYIUTLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6O3.C22H21ClN6O.C12H11NO2.C11H8ClNO2.C10H8ClNO/c1-16-8-24(33-26(36)37-27(3,4)5)32-17(2)22(16)13-30-25(35)20-11-31-34(15-20)14-18-6-7-23-19(9-18)10-21(28)12-29-23;1-13-5-21(24)28-14(2)19(13)10-26-22(30)17-8-27-29(12-17)11-15-3-4-20-16(6-15)7-18(23)9-25-20;1-2-15-12(14)10-5-6-11-9(8-10)4-3-7-13-11;1-15-11(14)7-2-3-10-8(4-7)5-9(12)6-13-10;11-9-4-8-3-7(6-13)1-2-10(8)12-5-9/h6-12,15H,13-14H2,1-5H3,(H,30,35)(H,32,33,36);3-9,12H,10-11H2,1-2H3,(H2,24,28)(H,26,30);3-8H,2H2,1H3;2-6H,1H3;1-5,13H,6H2.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate has a molecular weight of 1558.43 g/mol, XLogP of 16.55, 15 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(3-chloroquinolin-6-yl)methanol;ethyl quinoline-6-carboxylate;methyl 3-chloroquinoline-6-carboxylate is sourced from PubChem (CID 160654160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).