6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one

C20H15ClN4O2 — CID 3235331

IUPAC6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3cccc(Cl)c3)nc3cncnc32)c1
InChIInChI=1S/C20H15ClN4O2/c1-27-16-7-2-4-13(8-16)11-25-19-17(10-22-12-23-19)24-18(20(25)26)14-5-3-6-15(21)9-14/h2-10,12H,11H2,1H3
InChIKeyFHFJRLNJBUONNS-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.56
Rot. Bonds4

About 6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one

6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one (PubChem CID 3235331) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
PubChem CID3235331
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3cccc(Cl)c3)nc3cncnc32)c1
InChIInChI=1S/C20H15ClN4O2/c1-27-16-7-2-4-13(8-16)11-25-19-17(10-22-12-23-19)24-18(20(25)26)14-5-3-6-15(21)9-14/h2-10,12H,11H2,1H3
InChIKeyFHFJRLNJBUONNS-UHFFFAOYSA-N
XLogP3.56
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 41
CID 5327888
6-(2,6-dichlorophenyl)-2-[(2-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327894
6-(2,6-dichlorophenyl)-2-[(3-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327895
6-(2,6-Dichlorophenyl)-2-(4-methoxyphenylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327896
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 53
CID 5327899
6-(2,6-dichlorophenyl)-2-[(4-ethoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330525
6-(2,6-dichlorophenyl)-2-({4-[3-(dimethylamino)propoxy]phenyl}amino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327907
N-(2-(6-(3-chlorobenzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24830387
N-(2-(6-(3-chloro-4-fluorobenzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24830388
N-(2-(7-(3,4-dichlorobenzylamino)-3-(4-methoxyphenyl)-2-oxopyrido[4,3-b]pyrazin-1(2H)-yl)ethyl)acetamide
CID 24831822
N-(2-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8(7H)-yl)ethyl)acetamide
CID 24970336
N-(2-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8(7H)-yl)ethyl)benzamide
CID 25094160

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The IUPAC name of 6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one (CID 3235331) is 6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one.
What is the SMILES notation for 6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The canonical SMILES for 6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one is COc1cccc(Cn2c(=O)c(-c3cccc(Cl)c3)nc3cncnc32)c1.
What is the InChIKey of 6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The InChIKey is FHFJRLNJBUONNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-16-7-2-4-13(8-16)11-25-19-17(10-22-12-23-19)24-18(20(25)26)14-5-3-6-15(21)9-14/h2-10,12H,11H2,1H3.
What are the key properties of 6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one has a molecular weight of 378.82 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one is sourced from PubChem (CID 3235331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).