N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide

C23H24ClN3O2 — CID 42720354

IUPACN-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(CC)C(=O)C1CC1
InChIInChI=1S/C23H24ClN3O2/c1-3-20(26(4-2)22(28)15-12-13-15)21-25-19-11-6-5-10-18(19)23(29)27(21)17-9-7-8-16(24)14-17/h5-11,14-15,20H,3-4,12-13H2,1-2H3
InChIKeyLULZJUALJYKZKP-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.75
Rot. Bonds6

About N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide

N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide (PubChem CID 42720354) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
PubChem CID42720354
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC NameN-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(CC)C(=O)C1CC1
InChIInChI=1S/C23H24ClN3O2/c1-3-20(26(4-2)22(28)15-12-13-15)21-25-19-11-6-5-10-18(19)23(29)27(21)17-9-7-8-16(24)14-17/h5-11,14-15,20H,3-4,12-13H2,1-2H3
InChIKeyLULZJUALJYKZKP-UHFFFAOYSA-N
XLogP4.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
CID 42720403
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42719339
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720251
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide
CID 5186912
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42715682
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide
CID 42719818
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
CID 3361299
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4029276
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42720398
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide
CID 42721102
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 42721216

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide?
The IUPAC name of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide (CID 42720354) is N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide.
What is the SMILES notation for N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide?
The canonical SMILES for N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide is CCC(c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(CC)C(=O)C1CC1.
What is the InChIKey of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide?
The InChIKey is LULZJUALJYKZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-3-20(26(4-2)22(28)15-12-13-15)21-25-19-11-6-5-10-18(19)23(29)27(21)17-9-7-8-16(24)14-17/h5-11,14-15,20H,3-4,12-13H2,1-2H3.
What are the key properties of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide?
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.75, 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-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide is sourced from PubChem (CID 42720354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).