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

C27H26ClN3O2 — CID 42721056

IUPACN-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C
InChIInChI=1S/C27H26ClN3O2/c1-4-17-30(26(32)20-11-6-5-7-12-20)19(3)25-29-23-15-9-8-13-21(23)27(33)31(25)24-16-10-14-22(28)18(24)2/h5-16,19H,4,17H2,1-3H3
InChIKeyOSHVIVWTUZJVNH-UHFFFAOYSA-N
MW459.98 g/mol
LogP5.96
Rot. Bonds6

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

N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide (PubChem CID 42721056) has the molecular formula C27H26ClN3O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
PubChem CID42721056
Molecular FormulaC27H26ClN3O2
Molecular Weight459.98 g/mol
Exact Mass459.17
IUPAC NameN-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C
InChIInChI=1S/C27H26ClN3O2/c1-4-17-30(26(32)20-11-6-5-7-12-20)19(3)25-29-23-15-9-8-13-21(23)27(33)31(25)24-16-10-14-22(28)18(24)2/h5-16,19H,4,17H2,1-3H3
InChIKeyOSHVIVWTUZJVNH-UHFFFAOYSA-N
XLogP5.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.98
LogP ≤ 55.96
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-methylbenzamide
CID 42719659
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-4-pentylbenzamide
CID 42657616
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42720427
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-pentylfuran-2-carboxamide
CID 42720429
2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 42719928
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)hexanamide
CID 3513014
3-tert-butyl-1-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-hexylurea
CID 42720447
ethyl 4-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl-hexylamino]-4-oxobutanoate
CID 3917879
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide
CID 42719674
4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42721424
N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 5149608

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
The IUPAC name of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide (CID 42721056) is N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide.
What is the SMILES notation for N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
The canonical SMILES for N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide is CCCN(C(=O)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C.
What is the InChIKey of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
The InChIKey is OSHVIVWTUZJVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O2/c1-4-17-30(26(32)20-11-6-5-7-12-20)19(3)25-29-23-15-9-8-13-21(23)27(33)31(25)24-16-10-14-22(28)18(24)2/h5-16,19H,4,17H2,1-3H3.
What are the key properties of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide has a molecular weight of 459.98 g/mol, XLogP of 5.96, 6 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-propylbenzamide is sourced from PubChem (CID 42721056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).