[4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate

C23H17ClN2O2 — CID 146165991

IUPAC[4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(Cl)cc1-c1nc(-c2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C23H17ClN2O2/c1-14-7-9-16(10-8-14)22-18-5-3-4-6-20(18)25-23(26-22)19-13-17(24)11-12-21(19)28-15(2)27/h3-13H,1-2H3
InChIKeyBFMPVYLCTIMCGQ-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.85
Rot. Bonds3

About [4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate

[4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate (PubChem CID 146165991) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is [4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate
PubChem CID146165991
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name[4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(Cl)cc1-c1nc(-c2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C23H17ClN2O2/c1-14-7-9-16(10-8-14)22-18-5-3-4-6-20(18)25-23(26-22)19-13-17(24)11-12-21(19)28-15(2)27/h3-13H,1-2H3
InChIKeyBFMPVYLCTIMCGQ-UHFFFAOYSA-N
XLogP5.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline
CID 132599151
[4-chloro-2-(4-methylphenyl)phenyl] hydrogen carbonate
CID 54216308
2-(4-methoxy-2,6-dimethylphenyl)-4-(4-methylphenyl)quinazoline
CID 177453043
2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268
[2-[2-(4-acetyloxyquinolin-2-yl)ethenyl]-4-chlorophenyl] acetate
CID 2961401
N-[4-(4-phenylquinazolin-2-yl)phenyl]acetamide
CID 4523406
4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline
CID 62504381
6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline
CID 141477649
[2-methyl-4-(4-sulfanylidene-3,1-benzoxazin-2-yl)phenyl] acetate
CID 118509668
[3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 11213596
N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide
CID 14528232
4-(3-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline
CID 67701962

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate?
The IUPAC name of [4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate (CID 146165991) is [4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate.
What is the SMILES notation for [4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate?
The canonical SMILES for [4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate is CC(=O)Oc1ccc(Cl)cc1-c1nc(-c2ccc(C)cc2)c2ccccc2n1.
What is the InChIKey of [4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate?
The InChIKey is BFMPVYLCTIMCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-14-7-9-16(10-8-14)22-18-5-3-4-6-20(18)25-23(26-22)19-13-17(24)11-12-21(19)28-15(2)27/h3-13H,1-2H3.
What are the key properties of [4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate?
[4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate has a molecular weight of 388.85 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate is sourced from PubChem (CID 146165991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).