N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C15H19N3O3 — CID 135566845

IUPACN-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCC[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O3/c1-2-10(9-19)16-14(20)8-7-13-17-12-6-4-3-5-11(12)15(21)18-13/h3-6,10,19H,2,7-9H2,1H3,(H,16,20)(H,17,18,21)/t10-/m0/s1
InChIKeyINPZIMSQNZGLHQ-JTQLQIEISA-N
MW289.33 g/mol
LogP0.74
Rot. Bonds6

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

N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135566845) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135566845
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCC[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O3/c1-2-10(9-19)16-14(20)8-7-13-17-12-6-4-3-5-11(12)15(21)18-13/h3-6,10,19H,2,7-9H2,1H3,(H,16,20)(H,17,18,21)/t10-/m0/s1
InChIKeyINPZIMSQNZGLHQ-JTQLQIEISA-N
XLogP0.74
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135566845) is N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CC[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is INPZIMSQNZGLHQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-10(9-19)16-14(20)8-7-13-17-12-6-4-3-5-11(12)15(21)18-13/h3-6,10,19H,2,7-9H2,1H3,(H,16,20)(H,17,18,21)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 289.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135566845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).