4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide

C19H18FN3O3 — CID 10155136

IUPAC4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1OC
InChIInChI=1S/C19H18FN3O3/c1-10-4-5-14(13(20)6-10)23-18-11-7-16(25-2)17(26-3)8-15(11)22-9-12(18)19(21)24/h4-9H,1-3H3,(H2,21,24)(H,22,23)
InChIKeyPTVOXKKZUPVNAK-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.54
Rot. Bonds5

About 4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide

4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide (PubChem CID 10155136) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide
PubChem CID10155136
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1OC
InChIInChI=1S/C19H18FN3O3/c1-10-4-5-14(13(20)6-10)23-18-11-7-16(25-2)17(26-3)8-15(11)22-9-12(18)19(21)24/h4-9H,1-3H3,(H2,21,24)(H,22,23)
InChIKeyPTVOXKKZUPVNAK-UHFFFAOYSA-N
XLogP3.54
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide 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

Cabozantinib
CID 25102847
Tariquidar
CID 148201
Genz-644282
CID 10294813
PZ-II-029
CID 10426200
N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
CID 11441375
Zeteletinib
CID 134391533
4-(4-Chloro-2-Fluoro-Anilino)-6,7-Dimethoxy-N-Methyl-Quinoline-3-Carboxamide
CID 118704900
HPGDS inhibitor 2
CID 129247606
2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
N-{4-[(6,7-Dimethoxyquinolin-4-Yl)oxy]-3-Fluorophenyl}-1,5-Dimethyl-3-Oxo-2-Phenyl-2,3-Dihydro-1h-Pyrazole-4-Carboxamide
CID 56604907
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide (CID 10155136) is 4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1OC.
What is the InChIKey of 4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The InChIKey is PTVOXKKZUPVNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-10-4-5-14(13(20)6-10)23-18-11-7-16(25-2)17(26-3)8-15(11)22-9-12(18)19(21)24/h4-9H,1-3H3,(H2,21,24)(H,22,23).
What are the key properties of 4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide?
4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylanilino)-6,7-dimethoxyquinoline-3-carboxamide is sourced from PubChem (CID 10155136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).