(7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one

C19H19F2N3O2 — CID 41001761

IUPAC(7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(NC[C@H]3CCCO3)ncc21
InChIInChI=1S/C19H19F2N3O2/c20-13-4-11(5-14(21)8-13)12-6-17-16(18(25)7-12)10-23-19(24-17)22-9-15-2-1-3-26-15/h4-5,8,10,12,15H,1-3,6-7,9H2,(H,22,23,24)/t12-,15-/m1/s1
InChIKeyQEURODYFUIUOFI-IUODEOHRSA-N
MW359.38 g/mol
LogP3.26
Rot. Bonds4

About (7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one

(7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41001761) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is (7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41001761
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name(7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(NC[C@H]3CCCO3)ncc21
InChIInChI=1S/C19H19F2N3O2/c20-13-4-11(5-14(21)8-13)12-6-17-16(18(25)7-12)10-23-19(24-17)22-9-15-2-1-3-26-15/h4-5,8,10,12,15H,1-3,6-7,9H2,(H,22,23,24)/t12-,15-/m1/s1
InChIKeyQEURODYFUIUOFI-IUODEOHRSA-N
XLogP3.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7R)-7-(3,5-difluorophenyl)-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-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 2042847
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
(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 7342552
6-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 95865280
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584123
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 3887888
6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503809
(7S)-2-(butylamino)-7-[4-(dimethylamino)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 7342549

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one (CID 41001761) is (7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(NC[C@H]3CCCO3)ncc21.
What is the InChIKey of (7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QEURODYFUIUOFI-IUODEOHRSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-13-4-11(5-14(21)8-13)12-6-17-16(18(25)7-12)10-23-19(24-17)22-9-15-2-1-3-26-15/h4-5,8,10,12,15H,1-3,6-7,9H2,(H,22,23,24)/t12-,15-/m1/s1.
What are the key properties of (7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
(7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 359.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41001761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).