propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate

C20H19ClN2O3 — CID 174510963

IUPACpropan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate
SMILESCC(C)OC(=O)Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-13(2)26-19(24)11-18-22-17-10-15(21)8-9-16(17)20(25)23(18)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3
InChIKeyMZQOOSSVVIOSNN-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.59
Rot. Bonds5

About propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate

propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate (PubChem CID 174510963) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate
PubChem CID174510963
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Namepropan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate
SMILESCC(C)OC(=O)Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-13(2)26-19(24)11-18-22-17-10-15(21)8-9-16(17)20(25)23(18)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3
InChIKeyMZQOOSSVVIOSNN-UHFFFAOYSA-N
XLogP3.59
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
CID 22238798
2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-bromo-N,N-dimethylacetamide;ethane
CID 143056327
2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2087664
N-(2-amino-2-methylpropyl)-N-[3-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]prop-2-enamide
CID 69474375
3-benzyl-7-chloro-2-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 2451745
3-benzyl-7-chloro-2-[1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 20785808
tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate
CID 69074256
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-methyl-2-phenylacetamide
CID 42711163
3-benzyl-2-[1-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-2-methylpropyl]-7-chloroquinazolin-4-one
CID 10256409
methyl 2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2574962
3-amino-2-benzyl-7-chloroquinazolin-4-one
CID 6488202
N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16569833

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate (CID 174510963) is propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate is CC(C)OC(=O)Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate?
The InChIKey is MZQOOSSVVIOSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13(2)26-19(24)11-18-22-17-10-15(21)8-9-16(17)20(25)23(18)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate?
propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate has a molecular weight of 370.84 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate is sourced from PubChem (CID 174510963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).