2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide

C25H22FN3O4 — CID 155814749

IUPAC2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3nc2Nc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C25H22FN3O4/c1-31-21-13-18(14-22(32-2)23(21)33-3)28-25(30)19-12-15-6-4-5-7-20(15)29-24(19)27-17-10-8-16(26)9-11-17/h4-14H,1-3H3,(H,27,29)(H,28,30)
InChIKeyFVHJLIQIEJISJA-UHFFFAOYSA-N
MW447.47 g/mol
LogP5.40
Rot. Bonds7

About 2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide

2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide (PubChem CID 155814749) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide
PubChem CID155814749
Molecular FormulaC25H22FN3O4
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC Name2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3nc2Nc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C25H22FN3O4/c1-31-21-13-18(14-22(32-2)23(21)33-3)28-25(30)19-12-15-6-4-5-7-20(15)29-24(19)27-17-10-8-16(26)9-11-17/h4-14H,1-3H3,(H,27,29)(H,28,30)
InChIKeyFVHJLIQIEJISJA-UHFFFAOYSA-N
XLogP5.40
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.47
LogP ≤ 55.40
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-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-fluorobenzamide
CID 9823308
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-fluorobenzamide
CID 9844901
N-{9-[(3,4-dimethoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3,5-dimethoxybenzamide
CID 15987714
2-[(2,4-Dimethoxyphenyl)amino]-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 15990790

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide (CID 155814749) is 2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide is COc1cc(NC(=O)c2cc3ccccc3nc2Nc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide?
The InChIKey is FVHJLIQIEJISJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4/c1-31-21-13-18(14-22(32-2)23(21)33-3)28-25(30)19-12-15-6-4-5-7-20(15)29-24(19)27-17-10-8-16(26)9-11-17/h4-14H,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide?
2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 155814749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).