N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide

C25H21F2N3O4 — CID 155811609

IUPACN-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide
SMILESCOc1cc(Nc2nc3ccccc3cc2C(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C25H21F2N3O4/c1-32-21-12-16(13-22(33-2)23(21)34-3)28-24-17(10-14-6-4-5-7-20(14)30-24)25(31)29-15-8-9-18(26)19(27)11-15/h4-13H,1-3H3,(H,28,30)(H,29,31)
InChIKeyJZHHFDXFWVIQMN-UHFFFAOYSA-N
MW465.46 g/mol
LogP5.53
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide

N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide (PubChem CID 155811609) has the molecular formula C25H21F2N3O4 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide
PubChem CID155811609
Molecular FormulaC25H21F2N3O4
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC NameN-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide
SMILESCOc1cc(Nc2nc3ccccc3cc2C(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C25H21F2N3O4/c1-32-21-12-16(13-22(33-2)23(21)34-3)28-24-17(10-14-6-4-5-7-20(14)30-24)25(31)29-15-8-9-18(26)19(27)11-15/h4-13H,1-3H3,(H,28,30)(H,29,31)
InChIKeyJZHHFDXFWVIQMN-UHFFFAOYSA-N
XLogP5.53
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.46
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
2,3,4-trimethoxy-N-2-quinolinylbenzamide
CID 2994144
2-Amino-6,7-dimethoxyquinoline-3-carboxamide
CID 781584
N-[3-(3-Cyano-6-methoxy-quinolin-2-ylamino)-propyl]-3,4,5-trimethoxy-benzamide
CID 647126
2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2117370
N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2386384
Ethyl 1-({2-[(3,4-dimethoxyphenyl)amino]quinolin-4-yl}carbonyl)piperidine-3-carboxylate
CID 3241424
2-[(3,4-Dimethoxyphenyl)amino]-N-[3-(morpholin-4-YL)propyl]quinoline-4-carboxamide
CID 9551021
N-{9-[(3,4-dimethoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3,5-dimethoxybenzamide
CID 15987714
3,5-dimethoxy-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}benzamide
CID 16021333
2-[(3,4-dimethoxyphenyl)amino]-N-(3-isopropoxypropyl)quinoline-4-carboxamide
CID 20854365
N-{3-[butyl(methyl)amino]propyl}-2-[(3,4-dimethoxyphenyl)amino]quinoline-4-carboxamide
CID 20854372

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide (CID 155811609) is N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide is COc1cc(Nc2nc3ccccc3cc2C(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OC.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide?
The InChIKey is JZHHFDXFWVIQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O4/c1-32-21-12-16(13-22(33-2)23(21)34-3)28-24-17(10-14-6-4-5-7-20(14)30-24)25(31)29-15-8-9-18(26)19(27)11-15/h4-13H,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide?
N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide is sourced from PubChem (CID 155811609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).