methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate

C24H20N4O4 — CID 67513533

IUPACmethyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate
SMILESCOC(=O)c1cccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)c(OC)cc23)c1
InChIInChI=1S/C24H20N4O4/c1-31-21-12-18-20(11-17(21)14-6-8-26-9-7-14)27-13-19(23(25)29)22(18)28-16-5-3-4-15(10-16)24(30)32-2/h3-13H,1-2H3,(H2,25,29)(H,27,28)
InChIKeySHTKLMCOWXGEPH-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.93
Rot. Bonds6

About methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate

methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate (PubChem CID 67513533) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate
PubChem CID67513533
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Namemethyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate
SMILESCOC(=O)c1cccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)c(OC)cc23)c1
InChIInChI=1S/C24H20N4O4/c1-31-21-12-18-20(11-17(21)14-6-8-26-9-7-14)27-13-19(23(25)29)22(18)28-16-5-3-4-15(10-16)24(30)32-2/h3-13H,1-2H3,(H2,25,29)(H,27,28)
InChIKeySHTKLMCOWXGEPH-UHFFFAOYSA-N
XLogP3.93
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate 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

3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid
CID 57334340
ethyl 3-[[3-carbamoyl-7-(4-methyl-3-pyridinyl)quinolin-4-yl]amino]benzoate
CID 67514120
methyl 4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoate
CID 22170299
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide
CID 11362812
4-(3-methoxyanilino)-6-N-(6-methoxy-3-pyridinyl)quinoline-3,6-dicarboxamide
CID 11374151
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
3-[(3-carbamoyl-7-pyrimidin-5-ylquinolin-4-yl)amino]benzoic acid
CID 57334789
4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
CID 174510815
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide
CID 11351389

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate?
The IUPAC name of methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate (CID 67513533) is methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate?
The canonical SMILES for methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate is COC(=O)c1cccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)c(OC)cc23)c1.
What is the InChIKey of methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate?
The InChIKey is SHTKLMCOWXGEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-31-21-12-18-20(11-17(21)14-6-8-26-9-7-14)27-13-19(23(25)29)22(18)28-16-5-3-4-15(10-16)24(30)32-2/h3-13H,1-2H3,(H2,25,29)(H,27,28).
What are the key properties of methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate?
methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate has a molecular weight of 428.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate is sourced from PubChem (CID 67513533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).