1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one

C27H24FNO3 — CID 176909533

IUPAC1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(F)c(OCC4CC4)cc3n2Cc2ccccc2)cc1
InChIInChI=1S/C27H24FNO3/c1-31-21-11-9-20(10-12-21)24-14-26(30)22-13-23(28)27(32-17-19-7-8-19)15-25(22)29(24)16-18-5-3-2-4-6-18/h2-6,9-15,19H,7-8,16-17H2,1H3
InChIKeyOFRRVUPFKFVKHU-UHFFFAOYSA-N
MW429.49 g/mol
LogP5.65
Rot. Bonds7

About 1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one

1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one (PubChem CID 176909533) has the molecular formula C27H24FNO3 and a molecular weight of 429.49 g/mol. Its IUPAC name is 1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one.

Molecular Properties

Compound Name1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one
PubChem CID176909533
Molecular FormulaC27H24FNO3
Molecular Weight429.49 g/mol
Exact Mass429.17
IUPAC Name1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(F)c(OCC4CC4)cc3n2Cc2ccccc2)cc1
InChIInChI=1S/C27H24FNO3/c1-31-21-11-9-20(10-12-21)24-14-26(30)22-13-23(28)27(32-17-19-7-8-19)15-25(22)29(24)16-18-5-3-2-4-6-18/h2-6,9-15,19H,7-8,16-17H2,1H3
InChIKeyOFRRVUPFKFVKHU-UHFFFAOYSA-N
XLogP5.65
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-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

1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one
CID 134913635
1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061790
[3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol
CID 142136286
3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-phenylmethoxyindole-2-carboxylic acid
CID 22676794
4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine
CID 110411604
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 10278700
10-benzyl-3-methoxyacridin-9-one
CID 12751573
4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one
CID 102442711
1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole
CID 134907072
1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid
CID 10274111
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one?
The IUPAC name of 1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one (CID 176909533) is 1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one.
What is the SMILES notation for 1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one?
The canonical SMILES for 1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one is COc1ccc(-c2cc(=O)c3cc(F)c(OCC4CC4)cc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one?
The InChIKey is OFRRVUPFKFVKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FNO3/c1-31-21-11-9-20(10-12-21)24-14-26(30)22-13-23(28)27(32-17-19-7-8-19)15-25(22)29(24)16-18-5-3-2-4-6-18/h2-6,9-15,19H,7-8,16-17H2,1H3.
What are the key properties of 1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one?
1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one has a molecular weight of 429.49 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one is sourced from PubChem (CID 176909533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).