5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C19H14ClN3O2 — CID 135651890

IUPAC5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1CC(c2cccc(Cl)c2)c2c(nc(-c3ccccc3)[nH]c2=O)N1
InChIInChI=1S/C19H14ClN3O2/c20-13-8-4-7-12(9-13)14-10-15(24)21-18-16(14)19(25)23-17(22-18)11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,21,22,23,24,25)
InChIKeyMUNOGZUDHGAKOA-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.56
Rot. Bonds2

About 5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135651890) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135651890
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1CC(c2cccc(Cl)c2)c2c(nc(-c3ccccc3)[nH]c2=O)N1
InChIInChI=1S/C19H14ClN3O2/c20-13-8-4-7-12(9-13)14-10-15(24)21-18-16(14)19(25)23-17(22-18)11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,21,22,23,24,25)
InChIKeyMUNOGZUDHGAKOA-UHFFFAOYSA-N
XLogP3.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(3-hydroxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774787
5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135651930
(5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774801
(5R)-5-(2-chloro-6-fluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774729
5-(3-chlorophenyl)-2-ethylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135477013
(5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774706
(5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774740
(5S)-5-(3-chlorophenyl)-2-prop-2-ynylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135557131
(5R)-5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135830457
(5S)-5-[4-[(3-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136767556
2-phenyl-5-(2,3,4-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135652236
5-(3-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135621100

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135651890) is 5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is O=C1CC(c2cccc(Cl)c2)c2c(nc(-c3ccccc3)[nH]c2=O)N1.
What is the InChIKey of 5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is MUNOGZUDHGAKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-13-8-4-7-12(9-13)14-10-15(24)21-18-16(14)19(25)23-17(22-18)11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,21,22,23,24,25).
What are the key properties of 5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 351.79 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135651890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).