6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one

C25H26FN3O2 — CID 71014174

IUPAC6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one
SMILESCN1CC=Cc2c(Cc3cccc(F)c3)cc3c(=O)n(C4CCCCC4O)cnc3c21
InChIInChI=1S/C25H26FN3O2/c1-28-11-5-8-19-17(12-16-6-4-7-18(26)13-16)14-20-23(24(19)28)27-15-29(25(20)31)21-9-2-3-10-22(21)30/h4-8,13-15,21-22,30H,2-3,9-12H2,1H3
InChIKeyBYBVJCLPZZIXHX-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.07
Rot. Bonds3

About 6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one

6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one (PubChem CID 71014174) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one
PubChem CID71014174
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one
SMILESCN1CC=Cc2c(Cc3cccc(F)c3)cc3c(=O)n(C4CCCCC4O)cnc3c21
InChIInChI=1S/C25H26FN3O2/c1-28-11-5-8-19-17(12-16-6-4-7-18(26)13-16)14-20-23(24(19)28)27-15-29(25(20)31)21-9-2-3-10-22(21)30/h4-8,13-15,21-22,30H,2-3,9-12H2,1H3
InChIKeyBYBVJCLPZZIXHX-UHFFFAOYSA-N
XLogP4.07
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one (CID 71014174) is 6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one is CN1CC=Cc2c(Cc3cccc(F)c3)cc3c(=O)n(C4CCCCC4O)cnc3c21.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one?
The InChIKey is BYBVJCLPZZIXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-28-11-5-8-19-17(12-16-6-4-7-18(26)13-16)14-20-23(24(19)28)27-15-29(25(20)31)21-9-2-3-10-22(21)30/h4-8,13-15,21-22,30H,2-3,9-12H2,1H3.
What are the key properties of 6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one?
6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one has a molecular weight of 419.50 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-3-(2-hydroxycyclohexyl)-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one is sourced from PubChem (CID 71014174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).