4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

C14H12ClN3O2 — CID 174166624

IUPAC4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)N1CCc2c(Cl)nc(-c3ccccc3)nc2C1
InChIInChI=1S/C14H12ClN3O2/c15-12-10-6-7-18(14(19)20)8-11(10)16-13(17-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,19,20)
InChIKeyDNIGWSBAFSYRSC-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.83
Rot. Bonds1

About 4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 174166624) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID174166624
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)N1CCc2c(Cl)nc(-c3ccccc3)nc2C1
InChIInChI=1S/C14H12ClN3O2/c15-12-10-6-7-18(14(19)20)8-11(10)16-13(17-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,19,20)
InChIKeyDNIGWSBAFSYRSC-UHFFFAOYSA-N
XLogP2.83
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 174166624) is 4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is O=C(O)N1CCc2c(Cl)nc(-c3ccccc3)nc2C1.
What is the InChIKey of 4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is DNIGWSBAFSYRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-12-10-6-7-18(14(19)20)8-11(10)16-13(17-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,19,20).
What are the key properties of 4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 289.72 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 174166624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).