3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide

C17H22BrN3O2 — CID 55571699

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(C)C(=O)CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C17H22BrN3O2/c1-4-13(5-2)20(3)16(22)8-9-21-11-19-15-7-6-12(18)10-14(15)17(21)23/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeySJZYJZQYBMHQJI-UHFFFAOYSA-N
MW380.29 g/mol
LogP3.20
Rot. Bonds6

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide (PubChem CID 55571699) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide
PubChem CID55571699
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(C)C(=O)CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C17H22BrN3O2/c1-4-13(5-2)20(3)16(22)8-9-21-11-19-15-7-6-12(18)10-14(15)17(21)23/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeySJZYJZQYBMHQJI-UHFFFAOYSA-N
XLogP3.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
CID 51331711
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 38046402
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide
CID 134061062
methyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl-methylamino]butanoate
CID 36627249
2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 39934425
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 55512357
2-[(6-bromo-4-oxoquinazolin-3-yl)methyl]butanoic acid
CID 155622567
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207
N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 30292156
methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-methylpropanoate
CID 43074401
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 43045414

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide (CID 55571699) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide is CCC(CC)N(C)C(=O)CCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide?
The InChIKey is SJZYJZQYBMHQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-4-13(5-2)20(3)16(22)8-9-21-11-19-15-7-6-12(18)10-14(15)17(21)23/h6-7,10-11,13H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide has a molecular weight of 380.29 g/mol, XLogP of 3.20, 6 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-methyl-N-pentan-3-ylpropanamide is sourced from PubChem (CID 55571699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).