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

C25H28ClN3O2 — CID 42715682

IUPACN-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(CC(C)C)C(=O)C1CC1
InChIInChI=1S/C25H28ClN3O2/c1-4-22(28(15-16(2)3)24(30)17-9-10-17)23-27-21-8-6-5-7-20(21)25(31)29(23)19-13-11-18(26)12-14-19/h5-8,11-14,16-17,22H,4,9-10,15H2,1-3H3
InChIKeySRCKGBNBJOWHDD-UHFFFAOYSA-N
MW437.97 g/mol
LogP5.38
Rot. Bonds7

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

N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide (PubChem CID 42715682) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide
PubChem CID42715682
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC NameN-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(CC(C)C)C(=O)C1CC1
InChIInChI=1S/C25H28ClN3O2/c1-4-22(28(15-16(2)3)24(30)17-9-10-17)23-27-21-8-6-5-7-20(21)25(31)29(23)19-13-11-18(26)12-14-19/h5-8,11-14,16-17,22H,4,9-10,15H2,1-3H3
InChIKeySRCKGBNBJOWHDD-UHFFFAOYSA-N
XLogP5.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.97
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 42721216
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclopropanecarboxamide
CID 42719268
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720354
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 42721247
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 5026552
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide
CID 42719818
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-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclobutanecarboxamide
CID 42715589
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
CID 42717218
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42721505
3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 3607239

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide (CID 42715682) is N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(CC(C)C)C(=O)C1CC1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The InChIKey is SRCKGBNBJOWHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-4-22(28(15-16(2)3)24(30)17-9-10-17)23-27-21-8-6-5-7-20(21)25(31)29(23)19-13-11-18(26)12-14-19/h5-8,11-14,16-17,22H,4,9-10,15H2,1-3H3.
What are the key properties of N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide has a molecular weight of 437.97 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide is sourced from PubChem (CID 42715682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).