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

C25H28BrN3O2 — CID 42719818

IUPACN-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(CC)C(=O)C1CCCC1
InChIInChI=1S/C25H28BrN3O2/c1-3-22(28(4-2)24(30)17-9-5-6-10-17)23-27-21-12-8-7-11-20(21)25(31)29(23)19-15-13-18(26)14-16-19/h7-8,11-17,22H,3-6,9-10H2,1-2H3
InChIKeyGRTXXSDSVBCUOZ-UHFFFAOYSA-N
MW482.42 g/mol
LogP5.64
Rot. Bonds6

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

N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide (PubChem CID 42719818) has the molecular formula C25H28BrN3O2 and a molecular weight of 482.42 g/mol. Its IUPAC name is N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide
PubChem CID42719818
Molecular FormulaC25H28BrN3O2
Molecular Weight482.42 g/mol
Exact Mass481.14
IUPAC NameN-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(CC)C(=O)C1CCCC1
InChIInChI=1S/C25H28BrN3O2/c1-3-22(28(4-2)24(30)17-9-5-6-10-17)23-27-21-12-8-7-11-20(21)25(31)29(23)19-15-13-18(26)14-16-19/h7-8,11-17,22H,3-6,9-10H2,1-2H3
InChIKeyGRTXXSDSVBCUOZ-UHFFFAOYSA-N
XLogP5.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 55.64
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-butylcyclobutanecarboxamide
CID 42719848
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42719339
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720354
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea
CID 5226088
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea
CID 42719823
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-(2-methoxyethyl)cyclohexanecarboxamide
CID 42722697
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 5026552
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42715682
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
CID 3361299
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 42719572
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
CID 42720403

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide?
The IUPAC name of N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide (CID 42719818) is N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide.
What is the SMILES notation for N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide?
The canonical SMILES for N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(CC)C(=O)C1CCCC1.
What is the InChIKey of N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide?
The InChIKey is GRTXXSDSVBCUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN3O2/c1-3-22(28(4-2)24(30)17-9-5-6-10-17)23-27-21-12-8-7-11-20(21)25(31)29(23)19-15-13-18(26)14-16-19/h7-8,11-17,22H,3-6,9-10H2,1-2H3.
What are the key properties of N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide?
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide has a molecular weight of 482.42 g/mol, XLogP of 5.64, 6 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-ethylcyclopentanecarboxamide is sourced from PubChem (CID 42719818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).