N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide

C26H30BrN3O2 — CID 42719848

IUPACN-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide
SMILESCCCCN(C(=O)C1CCC1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C26H30BrN3O2/c1-3-5-17-29(25(31)18-9-8-10-18)23(4-2)24-28-22-12-7-6-11-21(22)26(32)30(24)20-15-13-19(27)14-16-20/h6-7,11-16,18,23H,3-5,8-10,17H2,1-2H3
InChIKeyDKGGAWRTAREKSA-UHFFFAOYSA-N
MW496.45 g/mol
LogP6.03
Rot. Bonds8

About N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide

N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide (PubChem CID 42719848) has the molecular formula C26H30BrN3O2 and a molecular weight of 496.45 g/mol. Its IUPAC name is N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide
PubChem CID42719848
Molecular FormulaC26H30BrN3O2
Molecular Weight496.45 g/mol
Exact Mass495.15
IUPAC NameN-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide
SMILESCCCCN(C(=O)C1CCC1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C26H30BrN3O2/c1-3-5-17-29(25(31)18-9-8-10-18)23(4-2)24-28-22-12-7-6-11-21(22)26(32)30(24)20-15-13-19(27)14-16-20/h6-7,11-16,18,23H,3-5,8-10,17H2,1-2H3
InChIKeyDKGGAWRTAREKSA-UHFFFAOYSA-N
XLogP6.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.45
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide
CID 42719818
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
CID 42720403
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide
CID 42722929
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 5026552
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclobutanecarboxamide
CID 42721655
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea
CID 5226088
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclobutanecarboxamide
CID 42715589
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 42722697
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
CID 3361299
N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide
CID 42716308
3-bromo-N-butyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716312
N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide
CID 42711907

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide?
The IUPAC name of N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide (CID 42719848) is N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide.
What is the SMILES notation for N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide?
The canonical SMILES for N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide is CCCCN(C(=O)C1CCC1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1.
What is the InChIKey of N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide?
The InChIKey is DKGGAWRTAREKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BrN3O2/c1-3-5-17-29(25(31)18-9-8-10-18)23(4-2)24-28-22-12-7-6-11-21(22)26(32)30(24)20-15-13-19(27)14-16-20/h6-7,11-16,18,23H,3-5,8-10,17H2,1-2H3.
What are the key properties of N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide?
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide has a molecular weight of 496.45 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide is sourced from PubChem (CID 42719848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).