N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide

C25H22ClN3O2 — CID 42719659

IUPACN-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
SMILESCc1c(Cl)cccc1-n1c(C(C)N(C)C(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H22ClN3O2/c1-16-20(26)13-9-15-22(16)29-23(27-21-14-8-7-12-19(21)25(29)31)17(2)28(3)24(30)18-10-5-4-6-11-18/h4-15,17H,1-3H3
InChIKeyGDMDSMVPLRJEFZ-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.18
Rot. Bonds4

About N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide

N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide (PubChem CID 42719659) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
PubChem CID42719659
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC NameN-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
SMILESCc1c(Cl)cccc1-n1c(C(C)N(C)C(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H22ClN3O2/c1-16-20(26)13-9-15-22(16)29-23(27-21-14-8-7-12-19(21)25(29)31)17(2)28(3)24(30)18-10-5-4-6-11-18/h4-15,17H,1-3H3
InChIKeyGDMDSMVPLRJEFZ-UHFFFAOYSA-N
XLogP5.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide
CID 42719674
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 42721056
2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 42719928
2-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42721552
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 11633288
3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42720870
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42720427
N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 5149608
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide
CID 42657599
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-4-pentylbenzamide
CID 42657616
2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide
CID 7283482
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)hexanamide
CID 3513014

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide?
The IUPAC name of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide (CID 42719659) is N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide.
What is the SMILES notation for N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide?
The canonical SMILES for N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide is Cc1c(Cl)cccc1-n1c(C(C)N(C)C(=O)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide?
The InChIKey is GDMDSMVPLRJEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-16-20(26)13-9-15-22(16)29-23(27-21-14-8-7-12-19(21)25(29)31)17(2)28(3)24(30)18-10-5-4-6-11-18/h4-15,17H,1-3H3.
What are the key properties of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide?
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide has a molecular weight of 431.92 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide is sourced from PubChem (CID 42719659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).