3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide

C18H22BrN3O2 — CID 134061062

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide
SMILESCCN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CCCC1
InChIInChI=1S/C18H22BrN3O2/c1-2-22(14-5-3-4-6-14)17(23)9-10-21-12-20-16-8-7-13(19)11-15(16)18(21)24/h7-8,11-12,14H,2-6,9-10H2,1H3
InChIKeyHSDUCEAPRRRFQZ-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.34
Rot. Bonds5

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide (PubChem CID 134061062) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide
PubChem CID134061062
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide
SMILESCCN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CCCC1
InChIInChI=1S/C18H22BrN3O2/c1-2-22(14-5-3-4-6-14)17(23)9-10-21-12-20-16-8-7-13(19)11-15(16)18(21)24/h7-8,11-12,14H,2-6,9-10H2,1H3
InChIKeyHSDUCEAPRRRFQZ-UHFFFAOYSA-N
XLogP3.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide (CID 134061062) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide is CCN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CCCC1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide?
The InChIKey is HSDUCEAPRRRFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-2-22(14-5-3-4-6-14)17(23)9-10-21-12-20-16-8-7-13(19)11-15(16)18(21)24/h7-8,11-12,14H,2-6,9-10H2,1H3.
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide has a molecular weight of 392.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide is sourced from PubChem (CID 134061062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).