3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one

C25H24Cl2N6O2 — CID 171351695

IUPAC3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnc(Nc3ccc(N4CCN(CCO)CC4)cc3)cc2ncn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C25H24Cl2N6O2/c26-20-2-1-3-21(27)24(20)33-16-29-22-14-23(28-15-19(22)25(33)35)30-17-4-6-18(7-5-17)32-10-8-31(9-11-32)12-13-34/h1-7,14-16,34H,8-13H2,(H,28,30)
InChIKeyXHZDEQGNGADMLY-UHFFFAOYSA-N
MW511.41 g/mol
LogP3.95
Rot. Bonds6

About 3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one

3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 171351695) has the molecular formula C25H24Cl2N6O2 and a molecular weight of 511.41 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one
PubChem CID171351695
Molecular FormulaC25H24Cl2N6O2
Molecular Weight511.41 g/mol
Exact Mass510.13
IUPAC Name3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnc(Nc3ccc(N4CCN(CCO)CC4)cc3)cc2ncn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C25H24Cl2N6O2/c26-20-2-1-3-21(27)24(20)33-16-29-22-14-23(28-15-19(22)25(33)35)30-17-4-6-18(7-5-17)32-10-8-31(9-11-32)12-13-34/h1-7,14-16,34H,8-13H2,(H,28,30)
InChIKeyXHZDEQGNGADMLY-UHFFFAOYSA-N
XLogP3.95
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one (CID 171351695) is 3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one is O=c1c2cnc(Nc3ccc(N4CCN(CCO)CC4)cc3)cc2ncn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XHZDEQGNGADMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O2/c26-20-2-1-3-21(27)24(20)33-16-29-22-14-23(28-15-19(22)25(33)35)30-17-4-6-18(7-5-17)32-10-8-31(9-11-32)12-13-34/h1-7,14-16,34H,8-13H2,(H,28,30).
What are the key properties of 3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one?
3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 511.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 171351695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).