(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one

C25H19N3O — CID 7745751

IUPAC(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)[C@H](c2ccccc2)N1
InChIInChI=1S/C25H19N3O/c29-25-27-23(18-10-3-1-4-11-18)22(24(28-25)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)26-21/h1-16,23H,(H2,27,28,29)/t23-/m0/s1
InChIKeyUDAZBGDGKZRKEK-QHCPKHFHSA-N
MW377.45 g/mol
LogP5.16
Rot. Bonds3

About (4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one

(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 7745751) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is (4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID7745751
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)[C@H](c2ccccc2)N1
InChIInChI=1S/C25H19N3O/c29-25-27-23(18-10-3-1-4-11-18)22(24(28-25)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)26-21/h1-16,23H,(H2,27,28,29)/t23-/m0/s1
InChIKeyUDAZBGDGKZRKEK-QHCPKHFHSA-N
XLogP5.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 7745784
(4R)-5-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135594476
(4S)-5-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135594475
(4R)-5-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135895571
(4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 136810404
(4S)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 135912698
(4S)-5-(1,3-benzothiazol-2-yl)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135907264
5-(1,3-benzothiazol-2-yl)-4-(3-bromophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 4101500
(4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 135577553
(4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 136810396
5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 555860
(4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 135577557

Frequently Asked Questions

What is the IUPAC name of (4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 7745751) is (4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)[C@H](c2ccccc2)N1.
What is the InChIKey of (4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is UDAZBGDGKZRKEK-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H19N3O/c29-25-27-23(18-10-3-1-4-11-18)22(24(28-25)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)26-21/h1-16,23H,(H2,27,28,29)/t23-/m0/s1.
What are the key properties of (4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 377.45 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 7745751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).