2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide

C27H26ClN3O2 — CID 42716285

IUPAC2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H26ClN3O2/c1-3-18-30(26(32)20-14-8-10-16-22(20)28)24(4-2)25-29-23-17-11-9-15-21(23)27(33)31(25)19-12-6-5-7-13-19/h5-17,24H,3-4,18H2,1-2H3
InChIKeyKCOAZUGNFLGBJI-UHFFFAOYSA-N
MW459.98 g/mol
LogP6.04
Rot. Bonds7

About 2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide

2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide (PubChem CID 42716285) has the molecular formula C27H26ClN3O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
PubChem CID42716285
Molecular FormulaC27H26ClN3O2
Molecular Weight459.98 g/mol
Exact Mass459.17
IUPAC Name2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H26ClN3O2/c1-3-18-30(26(32)20-14-8-10-16-22(20)28)24(4-2)25-29-23-17-11-9-15-21(23)27(33)31(25)19-12-6-5-7-13-19/h5-17,24H,3-4,18H2,1-2H3
InChIKeyKCOAZUGNFLGBJI-UHFFFAOYSA-N
XLogP6.04
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.98
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4018495
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 4029648
N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716311
2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4029276
2,4-dichloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4561997
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871
3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 5187207
3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea
CID 42716184
2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
CID 42717679
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42711898

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide?
The IUPAC name of 2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide (CID 42716285) is 2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide is CCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide?
The InChIKey is KCOAZUGNFLGBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O2/c1-3-18-30(26(32)20-14-8-10-16-22(20)28)24(4-2)25-29-23-17-11-9-15-21(23)27(33)31(25)19-12-6-5-7-13-19/h5-17,24H,3-4,18H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide?
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide has a molecular weight of 459.98 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide is sourced from PubChem (CID 42716285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).