6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one

C26H28ClN5O2 — CID 135382048

IUPAC6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C26H28ClN5O2/c1-4-32(5-2)14-15-34-22-12-10-21(11-13-22)29-26-28-17-19-16-23(18-6-8-20(27)9-7-18)25(33)31(3)24(19)30-26/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,28,29,30)
InChIKeyBKKLKDBGZYFYHB-UHFFFAOYSA-N
MW478.00 g/mol
LogP5.11
Rot. Bonds9

About 6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 135382048) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID135382048
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC Name6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C26H28ClN5O2/c1-4-32(5-2)14-15-34-22-12-10-21(11-13-22)29-26-28-17-19-16-23(18-6-8-20(27)9-7-18)25(33)31(3)24(19)30-26/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,28,29,30)
InChIKeyBKKLKDBGZYFYHB-UHFFFAOYSA-N
XLogP5.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.00
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 135382048) is 6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BKKLKDBGZYFYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-4-32(5-2)14-15-34-22-12-10-21(11-13-22)29-26-28-17-19-16-23(18-6-8-20(27)9-7-18)25(33)31(3)24(19)30-26/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,28,29,30).
What are the key properties of 6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 478.00 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 135382048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).