3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one

C19H15N3O — CID 90846305

IUPAC3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1=CC(c2ccccc2)N=CN1
InChIInChI=1S/C19H15N3O/c23-19-15(10-14-8-4-5-9-16(14)22-19)18-11-17(20-12-21-18)13-6-2-1-3-7-13/h1-12,17H,(H,20,21)(H,22,23)
InChIKeyJEGNDXVRZHZYPX-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.24
Rot. Bonds2

About 3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one

3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one (PubChem CID 90846305) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one
PubChem CID90846305
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1=CC(c2ccccc2)N=CN1
InChIInChI=1S/C19H15N3O/c23-19-15(10-14-8-4-5-9-16(14)22-19)18-11-17(20-12-21-18)13-6-2-1-3-7-13/h1-12,17H,(H,20,21)(H,22,23)
InChIKeyJEGNDXVRZHZYPX-UHFFFAOYSA-N
XLogP3.24
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-diphenyl-4-pyridinyl)-1H-quinolin-2-one
CID 25231803
copper bis(2-oxo-1H-quinolin-3-olate)
CID 67199859
3-(3-hydroxyphenyl)-1H-quinolin-2-one
CID 11989516
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one
CID 137184532
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylpyrazin-2-yl]-1H-quinolin-2-one
CID 170781189
3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 22638613
3-(18F)fluoro-1H-quinolin-2-one
CID 158117840
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one
CID 155962167
8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione
CID 46186590

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one (CID 90846305) is 3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1C1=CC(c2ccccc2)N=CN1.
What is the InChIKey of 3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one?
The InChIKey is JEGNDXVRZHZYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-19-15(10-14-8-4-5-9-16(14)22-19)18-11-17(20-12-21-18)13-6-2-1-3-7-13/h1-12,17H,(H,20,21)(H,22,23).
What are the key properties of 3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one?
3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one has a molecular weight of 301.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-1,4-dihydropyrimidin-6-yl)-1H-quinolin-2-one is sourced from PubChem (CID 90846305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).