(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one

C17H19N3O3 — CID 2042847

IUPAC(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](c2ccco2)Cc2nc(NC[C@H]3CCCO3)ncc21
InChIInChI=1S/C17H19N3O3/c21-15-8-11(16-4-2-6-23-16)7-14-13(15)10-19-17(20-14)18-9-12-3-1-5-22-12/h2,4,6,10-12H,1,3,5,7-9H2,(H,18,19,20)/t11-,12-/m1/s1
InChIKeyVHKLANFAWJPXPK-VXGBXAGGSA-N
MW313.36 g/mol
LogP2.57
Rot. Bonds4

About (7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one

(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2042847) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2042847
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](c2ccco2)Cc2nc(NC[C@H]3CCCO3)ncc21
InChIInChI=1S/C17H19N3O3/c21-15-8-11(16-4-2-6-23-16)7-14-13(15)10-19-17(20-14)18-9-12-3-1-5-22-12/h2,4,6,10-12H,1,3,5,7-9H2,(H,18,19,20)/t11-,12-/m1/s1
InChIKeyVHKLANFAWJPXPK-VXGBXAGGSA-N
XLogP2.57
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

(7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 2040784
(7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 41001761
(7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7332901
N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide
CID 3137931
N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2886839
N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide
CID 2004861
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 713042
(7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 1402026
N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
CID 940577
2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 118389307
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
(7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 7740914

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one (CID 2042847) is (7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@H](c2ccco2)Cc2nc(NC[C@H]3CCCO3)ncc21.
What is the InChIKey of (7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is VHKLANFAWJPXPK-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-15-8-11(16-4-2-6-23-16)7-14-13(15)10-19-17(20-14)18-9-12-3-1-5-22-12/h2,4,6,10-12H,1,3,5,7-9H2,(H,18,19,20)/t11-,12-/m1/s1.
What are the key properties of (7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 313.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2042847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).