3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one

C24H26N6O2 — CID 135309316

IUPAC3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one
SMILESCc1c(Cc2ccc(-c3cn(C)nn3)nc2)cc2c(=O)n(C3CCCC3O)cnc2c1C
InChIInChI=1S/C24H26N6O2/c1-14-15(2)23-18(24(32)30(13-26-23)21-5-4-6-22(21)31)10-17(14)9-16-7-8-19(25-11-16)20-12-29(3)28-27-20/h7-8,10-13,21-22,31H,4-6,9H2,1-3H3
InChIKeyRWJWDFCOYRAHJV-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.88
Rot. Bonds4

About 3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one

3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one (PubChem CID 135309316) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one
PubChem CID135309316
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one
SMILESCc1c(Cc2ccc(-c3cn(C)nn3)nc2)cc2c(=O)n(C3CCCC3O)cnc2c1C
InChIInChI=1S/C24H26N6O2/c1-14-15(2)23-18(24(32)30(13-26-23)21-5-4-6-22(21)31)10-17(14)9-16-7-8-19(25-11-16)20-12-29(3)28-27-20/h7-8,10-13,21-22,31H,4-6,9H2,1-3H3
InChIKeyRWJWDFCOYRAHJV-UHFFFAOYSA-N
XLogP2.88
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one (CID 135309316) is 3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one is Cc1c(Cc2ccc(-c3cn(C)nn3)nc2)cc2c(=O)n(C3CCCC3O)cnc2c1C.
What is the InChIKey of 3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one?
The InChIKey is RWJWDFCOYRAHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14-15(2)23-18(24(32)30(13-26-23)21-5-4-6-22(21)31)10-17(14)9-16-7-8-19(25-11-16)20-12-29(3)28-27-20/h7-8,10-13,21-22,31H,4-6,9H2,1-3H3.
What are the key properties of 3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one?
3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one has a molecular weight of 430.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclopentyl)-7,8-dimethyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one is sourced from PubChem (CID 135309316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).