N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide

C13H15BrN4O2 — CID 120507203

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
SMILESC[C@@H](CN)NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C13H15BrN4O2/c1-8(5-15)17-12(19)6-18-7-16-11-3-2-9(14)4-10(11)13(18)20/h2-4,7-8H,5-6,15H2,1H3,(H,17,19)/t8-/m0/s1
InChIKeyNOWWJKLNQRUNEK-QMMMGPOBSA-N
MW339.19 g/mol
LogP0.62
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide

N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide (PubChem CID 120507203) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
PubChem CID120507203
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
SMILESC[C@@H](CN)NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C13H15BrN4O2/c1-8(5-15)17-12(19)6-18-7-16-11-3-2-9(14)4-10(11)13(18)20/h2-4,7-8H,5-6,15H2,1H3,(H,17,19)/t8-/m0/s1
InChIKeyNOWWJKLNQRUNEK-QMMMGPOBSA-N
XLogP0.62
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119606569
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119496250
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7488140
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
N-[1-(3-bromophenyl)ethyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55577613
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide (CID 120507203) is N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide is C[C@@H](CN)NC(=O)Cn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NOWWJKLNQRUNEK-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-8(5-15)17-12(19)6-18-7-16-11-3-2-9(14)4-10(11)13(18)20/h2-4,7-8H,5-6,15H2,1H3,(H,17,19)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 339.19 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 120507203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).