4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide

C19H19N3O3 — CID 127029779

IUPAC4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1
InChIInChI=1S/C19H19N3O3/c1-20-19(23)14-11-21-15-10-17(25-3)16(24-2)9-13(15)18(14)22-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyKLTXCAGJAJFJJW-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.36
Rot. Bonds5

About 4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide

4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide (PubChem CID 127029779) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
PubChem CID127029779
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1
InChIInChI=1S/C19H19N3O3/c1-20-19(23)14-11-21-15-10-17(25-3)16(24-2)9-13(15)18(14)22-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyKLTXCAGJAJFJJW-UHFFFAOYSA-N
XLogP3.36
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide
CID 156547134
4-anilino-6,7-dimethoxyquinoline-3-carboxamide;4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide;4-(2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 158844867
4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide
CID 156547209
4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
CID 156631271
tert-butyl 6-[[5-[4-anilino-7-methoxy-3-(methylcarbamoyl)quinolin-6-yl]pyridine-2-carbonyl]-methylamino]hexanoate
CID 157328556
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
CID 156547219
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate
CID 158892073
4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid
CID 58173125
4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoic acid
CID 22170208
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide?
The IUPAC name of 4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide (CID 127029779) is 4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide?
The canonical SMILES for 4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide is CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1.
What is the InChIKey of 4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide?
The InChIKey is KLTXCAGJAJFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-20-19(23)14-11-21-15-10-17(25-3)16(24-2)9-13(15)18(14)22-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide?
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 127029779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).