2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid

C18H16N4O4 — CID 70493493

IUPAC2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)c2nc(N3CCOCC3)ncc2c1=O
InChIInChI=1S/C18H16N4O4/c23-15-13-10-19-18(21-6-8-26-9-7-21)20-16(13)22(11-14(15)17(24)25)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,24,25)
InChIKeyIPQAJHZPLGVEKB-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.32
Rot. Bonds3

About 2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid

2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 70493493) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID70493493
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)c2nc(N3CCOCC3)ncc2c1=O
InChIInChI=1S/C18H16N4O4/c23-15-13-10-19-18(21-6-8-26-9-7-21)20-16(13)22(11-14(15)17(24)25)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,24,25)
InChIKeyIPQAJHZPLGVEKB-UHFFFAOYSA-N
XLogP1.32
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 91888334
8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid
CID 174466168
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 698340
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 68584083
2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 11101322
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 1288339
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
N-(2-morpholin-4-yl-5-oxopyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 17198708
2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 155672586
8-ethyl-5-oxo-2-[4-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 90671547

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 70493493) is 2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cn(-c2ccccc2)c2nc(N3CCOCC3)ncc2c1=O.
What is the InChIKey of 2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is IPQAJHZPLGVEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c23-15-13-10-19-18(21-6-8-26-9-7-21)20-16(13)22(11-14(15)17(24)25)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,24,25).
What are the key properties of 2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 352.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 70493493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).