5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one

C30H31F2N3O — CID 171809615

IUPAC5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one
SMILESCc1ccc(-c2cc3c(cc2C(F)F)N(c2cc(C(C)C)cc4c2cc(C)c(=O)n4C)CCC3)cn1
InChIInChI=1S/C30H31F2N3O/c1-17(2)22-13-27-25(11-18(3)30(36)34(27)5)28(14-22)35-10-6-7-20-12-23(21-9-8-19(4)33-16-21)24(29(31)32)15-26(20)35/h8-9,11-17,29H,6-7,10H2,1-5H3
InChIKeyWMXBEKHROJBGPX-UHFFFAOYSA-N
MW487.59 g/mol
LogP7.36
Rot. Bonds4

About 5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one

5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one (PubChem CID 171809615) has the molecular formula C30H31F2N3O and a molecular weight of 487.59 g/mol. Its IUPAC name is 5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one
PubChem CID171809615
Molecular FormulaC30H31F2N3O
Molecular Weight487.59 g/mol
Exact Mass487.24
IUPAC Name5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one
SMILESCc1ccc(-c2cc3c(cc2C(F)F)N(c2cc(C(C)C)cc4c2cc(C)c(=O)n4C)CCC3)cn1
InChIInChI=1S/C30H31F2N3O/c1-17(2)22-13-27-25(11-18(3)30(36)34(27)5)28(14-22)35-10-6-7-20-12-23(21-9-8-19(4)33-16-21)24(29(31)32)15-26(20)35/h8-9,11-17,29H,6-7,10H2,1-5H3
InChIKeyWMXBEKHROJBGPX-UHFFFAOYSA-N
XLogP7.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.59
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one 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

7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 171809278
2-[4-[7-(difluoromethyl)-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]acetamide
CID 177223835
5-[7-(difluoromethyl)-6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethylquinolin-2-one
CID 177343950
2-[5-[4-[7-(difluoromethyl)-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]pentyl]isoindole-1,3-dione
CID 177343997
7-chloro-5-[7-(difluoromethyl)-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,6-naphthyridin-2-one
CID 177223867
5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one
CID 162753638
3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 177344157
3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 177343947
5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one
CID 138618706
3-[4-[4-[[4-[[4-[7-(difluoromethyl)-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 177344009
methyl 5-[1-(7-chloro-1,3-dimethyl-2-oxo-4H-quinazolin-5-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carboxylate
CID 171809873
3-[6-[4-[2-[4-[7-(difluoromethyl)-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]-2-oxoethyl]-4-hydroxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177343965

Frequently Asked Questions

What is the IUPAC name of 5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one?
The IUPAC name of 5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one (CID 171809615) is 5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one.
What is the SMILES notation for 5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one?
The canonical SMILES for 5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one is Cc1ccc(-c2cc3c(cc2C(F)F)N(c2cc(C(C)C)cc4c2cc(C)c(=O)n4C)CCC3)cn1.
What is the InChIKey of 5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one?
The InChIKey is WMXBEKHROJBGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N3O/c1-17(2)22-13-27-25(11-18(3)30(36)34(27)5)28(14-22)35-10-6-7-20-12-23(21-9-8-19(4)33-16-21)24(29(31)32)15-26(20)35/h8-9,11-17,29H,6-7,10H2,1-5H3.
What are the key properties of 5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one?
5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one has a molecular weight of 487.59 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one is sourced from PubChem (CID 171809615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).