3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one

C16H15N3O — CID 39826477

IUPAC3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one
SMILESC[C@H](Cc1ccccn1)n1cnc2ccccc2c1=O
InChIInChI=1S/C16H15N3O/c1-12(10-13-6-4-5-9-17-13)19-11-18-15-8-3-2-7-14(15)16(19)20/h2-9,11-12H,10H2,1H3/t12-/m1/s1
InChIKeyYRMXGFCBVLMFOG-GFCCVEGCSA-N
MW265.32 g/mol
LogP2.60
Rot. Bonds3

About 3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one

3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one (PubChem CID 39826477) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one
PubChem CID39826477
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one
SMILESC[C@H](Cc1ccccn1)n1cnc2ccccc2c1=O
InChIInChI=1S/C16H15N3O/c1-12(10-13-6-4-5-9-17-13)19-11-18-15-8-3-2-7-14(15)16(19)20/h2-9,11-12H,10H2,1H3/t12-/m1/s1
InChIKeyYRMXGFCBVLMFOG-GFCCVEGCSA-N
XLogP2.60
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
2-(2-pyrrolidin-1-ylpropyl)pyridine
CID 90965469
(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 126431279
2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate
CID 166842177
2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-3-phenylpropanoic acid
CID 4835706
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
(2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid
CID 6851451
3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one
CID 50976957
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
3-propylquinazolin-4-one
CID 529124
2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid
CID 4834759

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one?
The IUPAC name of 3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one (CID 39826477) is 3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one?
The canonical SMILES for 3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one is C[C@H](Cc1ccccn1)n1cnc2ccccc2c1=O.
What is the InChIKey of 3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one?
The InChIKey is YRMXGFCBVLMFOG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12(10-13-6-4-5-9-17-13)19-11-18-15-8-3-2-7-14(15)16(19)20/h2-9,11-12H,10H2,1H3/t12-/m1/s1.
What are the key properties of 3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one?
3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one is sourced from PubChem (CID 39826477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).