N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C15H20N4O2 — CID 137024790

IUPACN-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESC[C@@H](CN)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-10(9-16)17-14(20)8-4-7-13-18-12-6-3-2-5-11(12)15(21)19-13/h2-3,5-6,10H,4,7-9,16H2,1H3,(H,17,20)(H,18,19,21)/t10-/m0/s1
InChIKeyAMUNEVUOMBUKLU-JTQLQIEISA-N
MW288.35 g/mol
LogP0.71
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 137024790) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID137024790
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESC[C@@H](CN)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-10(9-16)17-14(20)8-4-7-13-18-12-6-3-2-5-11(12)15(21)19-13/h2-3,5-6,10H,4,7-9,16H2,1H3,(H,17,20)(H,18,19,21)/t10-/m0/s1
InChIKeyAMUNEVUOMBUKLU-JTQLQIEISA-N
XLogP0.71
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide with MolForge

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135925520
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137137335
N-(1-aminopropan-2-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137122484
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
4-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]-4-phenylbutanoic acid
CID 136990447
4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
CID 136902471
(2R)-3-(4-hydroxyphenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]propanoic acid
CID 135625145
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide
CID 46411057
4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 135888514
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782918

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 137024790) is N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is C[C@@H](CN)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is AMUNEVUOMBUKLU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(9-16)17-14(20)8-4-7-13-18-12-6-3-2-5-11(12)15(21)19-13/h2-3,5-6,10H,4,7-9,16H2,1H3,(H,17,20)(H,18,19,21)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 288.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 137024790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).