N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide

C14H17N3O3 — CID 10912745

IUPACN-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCC(=O)Nn1c([C@@H](O)C(C)C)nc2ccccc2c1=O
InChIInChI=1S/C14H17N3O3/c1-8(2)12(19)13-15-11-7-5-4-6-10(11)14(20)17(13)16-9(3)18/h4-8,12,19H,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyJLBRICSEOUEFOD-LBPRGKRZSA-N
MW275.31 g/mol
LogP1.18
Rot. Bonds3

About N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide

N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide (PubChem CID 10912745) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
PubChem CID10912745
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCC(=O)Nn1c([C@@H](O)C(C)C)nc2ccccc2c1=O
InChIInChI=1S/C14H17N3O3/c1-8(2)12(19)13-15-11-7-5-4-6-10(11)14(20)17(13)16-9(3)18/h4-8,12,19H,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyJLBRICSEOUEFOD-LBPRGKRZSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide
CID 10829136
N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide
CID 15046298
CID 164840749
CID 164840749
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
CID 170732444
2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
CID 16723037
(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
CID 16723151
N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838498
methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate
CID 23255846
N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 73317107
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide
CID 110294904
2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]quinazolin-4-one
CID 101064428

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide (CID 10912745) is N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide is CC(=O)Nn1c([C@@H](O)C(C)C)nc2ccccc2c1=O.
What is the InChIKey of N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is JLBRICSEOUEFOD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)12(19)13-15-11-7-5-4-6-10(11)14(20)17(13)16-9(3)18/h4-8,12,19H,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide?
N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 10912745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).