2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one

C20H19ClN4O — CID 90463887

IUPAC2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one
SMILESCN1CC2[C@H]1CN2c1ccc2nc(-c3cccc(Cl)c3)n(C)c(=O)c2c1
InChIInChI=1S/C20H19ClN4O/c1-23-10-18-17(23)11-25(18)14-6-7-16-15(9-14)20(26)24(2)19(22-16)12-4-3-5-13(21)8-12/h3-9,17-18H,10-11H2,1-2H3/t17-,18?/m1/s1
InChIKeyKVJHTWYTDWUURO-QNSVNVJESA-N
MW366.85 g/mol
LogP2.76
Rot. Bonds2

About 2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one

2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one (PubChem CID 90463887) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one
PubChem CID90463887
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one
SMILESCN1CC2[C@H]1CN2c1ccc2nc(-c3cccc(Cl)c3)n(C)c(=O)c2c1
InChIInChI=1S/C20H19ClN4O/c1-23-10-18-17(23)11-25(18)14-6-7-16-15(9-14)20(26)24(2)19(22-16)12-4-3-5-13(21)8-12/h3-9,17-18H,10-11H2,1-2H3/t17-,18?/m1/s1
InChIKeyKVJHTWYTDWUURO-QNSVNVJESA-N
XLogP2.76
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one (CID 90463887) is 2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one is CN1CC2[C@H]1CN2c1ccc2nc(-c3cccc(Cl)c3)n(C)c(=O)c2c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one?
The InChIKey is KVJHTWYTDWUURO-QNSVNVJESA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-23-10-18-17(23)11-25(18)14-6-7-16-15(9-14)20(26)24(2)19(22-16)12-4-3-5-13(21)8-12/h3-9,17-18H,10-11H2,1-2H3/t17-,18?/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one?
2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one has a molecular weight of 366.85 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one is sourced from PubChem (CID 90463887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).