2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one

C19H18ClN3O2 — CID 118053030

IUPAC2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one
SMILESNc1nc2cc(-c3cccc(Cl)c3)ccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C19H18ClN3O2/c20-14-4-1-3-12(9-14)13-6-7-16-17(10-13)22-19(21)23(18(16)24)11-15-5-2-8-25-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H2,21,22)
InChIKeyRZCLGDCXZXTBNF-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.48
Rot. Bonds3

About 2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one

2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one (PubChem CID 118053030) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one
PubChem CID118053030
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one
SMILESNc1nc2cc(-c3cccc(Cl)c3)ccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C19H18ClN3O2/c20-14-4-1-3-12(9-14)13-6-7-16-17(10-13)22-19(21)23(18(16)24)11-15-5-2-8-25-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H2,21,22)
InChIKeyRZCLGDCXZXTBNF-UHFFFAOYSA-N
XLogP3.48
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[[5-(3-chlorophenyl)oxolan-2-yl]methyl]-7-phenylquinazolin-4-one
CID 118052970
2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one
CID 118053225
7-chloro-3-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 8601242
7-chloro-3-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylsulfanylquinazolin-4-one
CID 41095575
7-chloro-2-[(4-methylphenyl)methylsulfanyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7739354
7-chloro-3-[[(2R)-oxolan-2-yl]methyl]-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
CID 7739443
(2R)-2-[7-chloro-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylpropanamide
CID 40744913
7-chloro-3-(oxolan-2-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 17469811
7-chloro-2-[(1S)-2-oxocyclohexyl]sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7739450
2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 4828647
(2S)-2-[7-chloro-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylpropanenitrile
CID 7739412
2-[7-chloro-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-cyclopentylacetamide
CID 7739460

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one (CID 118053030) is 2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one is Nc1nc2cc(-c3cccc(Cl)c3)ccc2c(=O)n1CC1CCCO1.
What is the InChIKey of 2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one?
The InChIKey is RZCLGDCXZXTBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-14-4-1-3-12(9-14)13-6-7-16-17(10-13)22-19(21)23(18(16)24)11-15-5-2-8-25-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H2,21,22).
What are the key properties of 2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one?
2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one has a molecular weight of 355.83 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 118053030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).