[2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C28H25FN2O3 — CID 4556585

IUPAC[2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3c4ccc(F)cc4CCC3C)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C28H25FN2O3/c1-17-8-9-18-14-19(29)10-13-26(18)31(17)28(32)23-16-25(30-24-7-5-4-6-21(23)24)22-12-11-20(33-2)15-27(22)34-3/h4-7,10-17H,8-9H2,1-3H3
InChIKeyJEDHXUVISRMXCT-UHFFFAOYSA-N
MW456.52 g/mol
LogP6.04
Rot. Bonds4

About [2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 4556585) has the molecular formula C28H25FN2O3 and a molecular weight of 456.52 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID4556585
Molecular FormulaC28H25FN2O3
Molecular Weight456.52 g/mol
Exact Mass456.18
IUPAC Name[2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3c4ccc(F)cc4CCC3C)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C28H25FN2O3/c1-17-8-9-18-14-19(29)10-13-26(18)31(17)28(32)23-16-25(30-24-7-5-4-6-21(23)24)22-12-11-20(33-2)15-27(22)34-3/h4-7,10-17H,8-9H2,1-3H3
InChIKeyJEDHXUVISRMXCT-UHFFFAOYSA-N
XLogP6.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19685239
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone
CID 4079910
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(2,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4069317
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075
(E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 898698
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 121070512
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 4556585) is [2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc(-c2cc(C(=O)N3c4ccc(F)cc4CCC3C)c3ccccc3n2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is JEDHXUVISRMXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O3/c1-17-8-9-18-14-19(29)10-13-26(18)31(17)28(32)23-16-25(30-24-7-5-4-6-21(23)24)22-12-11-20(33-2)15-27(22)34-3/h4-7,10-17H,8-9H2,1-3H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 456.52 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 4556585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).