methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate

C19H16ClN3O3 — CID 1257142

IUPACmethyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccncc2)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C19H16ClN3O3/c1-11-15(20)4-3-13-14(19(25)22-10-17(24)26-2)9-16(23-18(11)13)12-5-7-21-8-6-12/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyPOKXACHRPPVHFL-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.16
Rot. Bonds4

About methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate

methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate (PubChem CID 1257142) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate
PubChem CID1257142
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Namemethyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccncc2)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C19H16ClN3O3/c1-11-15(20)4-3-13-14(19(25)22-10-17(24)26-2)9-16(23-18(11)13)12-5-7-21-8-6-12/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyPOKXACHRPPVHFL-UHFFFAOYSA-N
XLogP3.16
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AV-608
CID 9917079
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(pyridin-4-yl)quinolin-6-yl]propanoic acid
CID 10389798
Methyl 2-{[2-(pyridin-4-yl)quinolin-4-yl]formamido}acetate
CID 2349755
Methyl 2-[(6-methyl-2-(4-pyridyl)-4-quinolyl)carbonylamino]acetate
CID 1261286
7-Chloro-8-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide
CID 2220966
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1223053
{[2-(4-Chloro-phenyl)-quinoline-4-carbonyl]-amino}-phenyl-acetic acid methyl ester
CID 10717542
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide
CID 44544143
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3,5-bis(trifluoromethyl)benzamide
CID 44544144
4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-(4-pyridyl)quinoline-2-carboxamide
CID 126593951
FadD32 Inhibitor-1
CID 126594078
2-(2-chlorophenyl)-N-(2-pyridinylmethyl)-4-quinolinecarboxamide
CID 2164483

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate (CID 1257142) is methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cc(-c2ccncc2)nc2c(C)c(Cl)ccc12.
What is the InChIKey of methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
The InChIKey is POKXACHRPPVHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-11-15(20)4-3-13-14(19(25)22-10-17(24)26-2)9-16(23-18(11)13)12-5-7-21-8-6-12/h3-9H,10H2,1-2H3,(H,22,25).
What are the key properties of methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate has a molecular weight of 369.81 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 1257142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).