[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone

C28H21ClF3N3O — CID 3054996

IUPAC[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
SMILESO=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H21ClF3N3O/c29-22-6-1-18(2-7-22)19-12-15-35(16-13-19)27(36)20-3-8-23(9-4-20)34-25-11-14-33-26-17-21(28(30,31)32)5-10-24(25)26/h1-12,14,17H,13,15-16H2,(H,33,34)
InChIKeyVLNZHMSMASUUKG-UHFFFAOYSA-N
MW507.94 g/mol
LogP7.58
Rot. Bonds4

About [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone

[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone (PubChem CID 3054996) has the molecular formula C28H21ClF3N3O and a molecular weight of 507.94 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
PubChem CID3054996
Molecular FormulaC28H21ClF3N3O
Molecular Weight507.94 g/mol
Exact Mass507.13
IUPAC Name[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
SMILESO=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H21ClF3N3O/c29-22-6-1-18(2-7-22)19-12-15-35(16-13-19)27(36)20-3-8-23(9-4-20)34-25-11-14-33-26-17-21(28(30,31)32)5-10-24(25)26/h1-12,14,17H,13,15-16H2,(H,33,34)
InChIKeyVLNZHMSMASUUKG-UHFFFAOYSA-N
XLogP7.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.94
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone with MolForge

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Related Compounds

AV-608
CID 9917079
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 73349008
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
CID 6473490
(4-Chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone
CID 1251584
3-(2-aminoquinazolin-6-yl)-4-chloro-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 11683692
4-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436055
4-(4-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436066
4-(4-fluorophenyl)-N-[8-fluoro-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436094
N-(4-amino-2-propylquinolin-6-yl)-4''-chlorobiphenyl-4-carboxamide
CID 44417832
4-chloro-N-(quinolin-8-yl)benzamide
CID 836113
Quinolinium, 7-chloro-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide
CID 206454

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone (CID 3054996) is [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone is O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CC=C(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone?
The InChIKey is VLNZHMSMASUUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF3N3O/c29-22-6-1-18(2-7-22)19-12-15-35(16-13-19)27(36)20-3-8-23(9-4-20)34-25-11-14-33-26-17-21(28(30,31)32)5-10-24(25)26/h1-12,14,17H,13,15-16H2,(H,33,34).
What are the key properties of [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone?
[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone has a molecular weight of 507.94 g/mol, XLogP of 7.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone is sourced from PubChem (CID 3054996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).