4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one

C17H18ClN3O — CID 162674311

IUPAC4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCCc1ccc2c(n1)N(CC)C(=O)NC2c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10,15H,3-4H2,1-2H3,(H,20,22)
InChIKeySGGQQXATQWLMRQ-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.94
Rot. Bonds3

About 4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one

4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one (PubChem CID 162674311) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one
PubChem CID162674311
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCCc1ccc2c(n1)N(CC)C(=O)NC2c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10,15H,3-4H2,1-2H3,(H,20,22)
InChIKeySGGQQXATQWLMRQ-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one (CID 162674311) is 4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one is CCc1ccc2c(n1)N(CC)C(=O)NC2c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is SGGQQXATQWLMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10,15H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one?
4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 315.80 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 162674311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).