2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one

C14H17N3O2 — CID 136747997

IUPAC2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
SMILESC[C@@H](Nc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCO1
InChIInChI=1S/C14H17N3O2/c1-9(12-7-4-8-19-12)15-14-16-11-6-3-2-5-10(11)13(18)17-14/h2-3,5-6,9,12H,4,7-8H2,1H3,(H2,15,16,17,18)/t9-,12+/m1/s1
InChIKeyUXBGJPBNDCQWPP-SKDRFNHKSA-N
MW259.31 g/mol
LogP1.90
Rot. Bonds3

About 2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one

2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one (PubChem CID 136747997) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
PubChem CID136747997
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
SMILESC[C@@H](Nc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCO1
InChIInChI=1S/C14H17N3O2/c1-9(12-7-4-8-19-12)15-14-16-11-6-3-2-5-10(11)13(18)17-14/h2-3,5-6,9,12H,4,7-8H2,1H3,(H2,15,16,17,18)/t9-,12+/m1/s1
InChIKeyUXBGJPBNDCQWPP-SKDRFNHKSA-N
XLogP1.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one with MolForge

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Related Compounds

4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80780771
N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine
CID 42950794
2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80776538
(2S)-3-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]butanoic acid
CID 137098060
N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 136580210
(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid
CID 137098064
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3H-quinazolin-4-one
CID 137264134
trans-(1R,3R)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803515
trans-(1S,3S)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803514
6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one
CID 135407746
N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135544785
5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine
CID 133408928

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one (CID 136747997) is 2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one is C[C@@H](Nc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCO1.
What is the InChIKey of 2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one?
The InChIKey is UXBGJPBNDCQWPP-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(12-7-4-8-19-12)15-14-16-11-6-3-2-5-10(11)13(18)17-14/h2-3,5-6,9,12H,4,7-8H2,1H3,(H2,15,16,17,18)/t9-,12+/m1/s1.
What are the key properties of 2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one?
2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one has a molecular weight of 259.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136747997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).