4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one

C20H16N4O2 — CID 123765562

IUPAC4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1ccc(-c2cccc(Nc3[nH]c(=O)nc4ncccc34)c2)cc1
InChIInChI=1S/C20H16N4O2/c1-26-16-9-7-13(8-10-16)14-4-2-5-15(12-14)22-19-17-6-3-11-21-18(17)23-20(25)24-19/h2-12H,1H3,(H2,21,22,23,24,25)
InChIKeyUZTSLWGJAJXFGW-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.74
Rot. Bonds4

About 4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one

4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 123765562) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID123765562
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1ccc(-c2cccc(Nc3[nH]c(=O)nc4ncccc34)c2)cc1
InChIInChI=1S/C20H16N4O2/c1-26-16-9-7-13(8-10-16)14-4-2-5-15(12-14)22-19-17-6-3-11-21-18(17)23-20(25)24-19/h2-12H,1H3,(H2,21,22,23,24,25)
InChIKeyUZTSLWGJAJXFGW-UHFFFAOYSA-N
XLogP3.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123353263
4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123283624
4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123990750
2-N-[3-(4-methoxyphenyl)phenyl]-4-N,6-N-bis(3-phenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 59030065
1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154344900
3-(4-methoxyphenyl)-1,8-naphthyridine
CID 132535083
9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one
CID 58424967
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 21304154
2-(3-methoxyanilino)-1H-pyrimidin-6-one
CID 716132
quinolin-8-yl 3-(4-methoxyphenyl)benzoate
CID 5158334
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one (CID 123765562) is 4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one is COc1ccc(-c2cccc(Nc3[nH]c(=O)nc4ncccc34)c2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is UZTSLWGJAJXFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-16-9-7-13(8-10-16)14-4-2-5-15(12-14)22-19-17-6-3-11-21-18(17)23-20(25)24-19/h2-12H,1H3,(H2,21,22,23,24,25).
What are the key properties of 4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one?
4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 344.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 123765562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).