(2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide

C13H17N3O3 — CID 136584600

IUPAC(2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nc2c(c(=O)[nH]1)CCCC2)[C@H]1CCCO1
InChIInChI=1S/C13H17N3O3/c17-11-8-4-1-2-5-9(8)14-13(15-11)16-12(18)10-6-3-7-19-10/h10H,1-7H2,(H2,14,15,16,17,18)/t10-/m1/s1
InChIKeyCTAFGEMSJXOSIF-SNVBAGLBSA-N
MW263.30 g/mol
LogP0.77
Rot. Bonds2

About (2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide

(2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide (PubChem CID 136584600) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide
PubChem CID136584600
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nc2c(c(=O)[nH]1)CCCC2)[C@H]1CCCO1
InChIInChI=1S/C13H17N3O3/c17-11-8-4-1-2-5-9(8)14-13(15-11)16-12(18)10-6-3-7-19-10/h10H,1-7H2,(H2,14,15,16,17,18)/t10-/m1/s1
InChIKeyCTAFGEMSJXOSIF-SNVBAGLBSA-N
XLogP0.77
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide with MolForge

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Related Compounds

(2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide
CID 103872487
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
N-(3-methyl-2-oxo-1H-quinolin-7-yl)oxolane-2-carboxamide
CID 110604367
2-(3-ethoxypropylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136779964
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
N-[4-[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]phenyl]cyclopropanecarboxamide
CID 136685449
2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611951
N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
2-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611942
(2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide
CID 130701743
N-(oxan-4-yl)oxolane-2-carboxamide
CID 110726803

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide (CID 136584600) is (2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide is O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide?
The InChIKey is CTAFGEMSJXOSIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-11-8-4-1-2-5-9(8)14-13(15-11)16-12(18)10-6-3-7-19-10/h10H,1-7H2,(H2,14,15,16,17,18)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide?
(2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 136584600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).