8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid

C18H15ClN4O3 — CID 46869696

IUPAC8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3ccccc3)c2n1
InChIInChI=1S/C18H15ClN4O3/c19-12-10-13(17(24)25)20-16-14(11-4-2-1-3-5-11)21-18(22-15(12)16)23-6-8-26-9-7-23/h1-5,10H,6-9H2,(H,24,25)
InChIKeyWTPVENICVNTPJT-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.88
Rot. Bonds3

About 8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid

8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869696) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869696
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3ccccc3)c2n1
InChIInChI=1S/C18H15ClN4O3/c19-12-10-13(17(24)25)20-16-14(11-4-2-1-3-5-11)21-18(22-15(12)16)23-6-8-26-9-7-23/h1-5,10H,6-9H2,(H,24,25)
InChIKeyWTPVENICVNTPJT-UHFFFAOYSA-N
XLogP2.88
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869696) is 8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3ccccc3)c2n1.
What is the InChIKey of 8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is WTPVENICVNTPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c19-12-10-13(17(24)25)20-16-14(11-4-2-1-3-5-11)21-18(22-15(12)16)23-6-8-26-9-7-23/h1-5,10H,6-9H2,(H,24,25).
What are the key properties of 8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 370.80 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).