1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one

C25H28FNO3 — CID 10319338

IUPAC1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc21)C1CC1
InChIInChI=1S/C25H28FNO3/c1-24(2,20-14-18(26)10-11-23(20)30-3)15-25(29,17-8-9-17)16-27-13-12-22(28)19-6-4-5-7-21(19)27/h4-7,10-14,17,29H,8-9,15-16H2,1-3H3
InChIKeyPGQSDDXRVTYSHV-UHFFFAOYSA-N
MW409.50 g/mol
LogP4.66
Rot. Bonds7

About 1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one

1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one (PubChem CID 10319338) has the molecular formula C25H28FNO3 and a molecular weight of 409.50 g/mol. Its IUPAC name is 1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one
PubChem CID10319338
Molecular FormulaC25H28FNO3
Molecular Weight409.50 g/mol
Exact Mass409.21
IUPAC Name1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc21)C1CC1
InChIInChI=1S/C25H28FNO3/c1-24(2,20-14-18(26)10-11-23(20)30-3)15-25(29,17-8-9-17)16-27-13-12-22(28)19-6-4-5-7-21(19)27/h4-7,10-14,17,29H,8-9,15-16H2,1-3H3
InChIKeyPGQSDDXRVTYSHV-UHFFFAOYSA-N
XLogP4.66
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one?
The IUPAC name of 1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one (CID 10319338) is 1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one.
What is the SMILES notation for 1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one?
The canonical SMILES for 1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one is COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc21)C1CC1.
What is the InChIKey of 1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one?
The InChIKey is PGQSDDXRVTYSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO3/c1-24(2,20-14-18(26)10-11-23(20)30-3)15-25(29,17-8-9-17)16-27-13-12-22(28)19-6-4-5-7-21(19)27/h4-7,10-14,17,29H,8-9,15-16H2,1-3H3.
What are the key properties of 1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one?
1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one has a molecular weight of 409.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one is sourced from PubChem (CID 10319338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).