N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide

C17H23BrN4O2 — CID 119571304

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
SMILESCCC(CC)(CN)NC(=O)CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C17H23BrN4O2/c1-3-17(4-2,10-19)21-15(23)7-8-22-11-20-14-6-5-12(18)9-13(14)16(22)24/h5-6,9,11H,3-4,7-8,10,19H2,1-2H3,(H,21,23)
InChIKeyJGAWHUJCDOYQTE-UHFFFAOYSA-N
MW395.30 g/mol
LogP2.18
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide

N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide (PubChem CID 119571304) has the molecular formula C17H23BrN4O2 and a molecular weight of 395.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
PubChem CID119571304
Molecular FormulaC17H23BrN4O2
Molecular Weight395.30 g/mol
Exact Mass394.10
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
SMILESCCC(CC)(CN)NC(=O)CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C17H23BrN4O2/c1-3-17(4-2,10-19)21-15(23)7-8-22-11-20-14-6-5-12(18)9-13(14)16(22)24/h5-6,9,11H,3-4,7-8,10,19H2,1-2H3,(H,21,23)
InChIKeyJGAWHUJCDOYQTE-UHFFFAOYSA-N
XLogP2.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-methylpropanoate
CID 43074401
N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900
6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one
CID 62563597
5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide
CID 63578850
N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119616697
6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 62563754
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119606569
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide (CID 119571304) is N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide is CCC(CC)(CN)NC(=O)CCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is JGAWHUJCDOYQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O2/c1-3-17(4-2,10-19)21-15(23)7-8-22-11-20-14-6-5-12(18)9-13(14)16(22)24/h5-6,9,11H,3-4,7-8,10,19H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 395.30 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 119571304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).