6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one

C19H13ClN4O2 — CID 3235359

IUPAC6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cccc(Cl)c3)nc3cncnc32)cc1
InChIInChI=1S/C19H13ClN4O2/c1-26-15-7-5-14(6-8-15)24-18-16(10-21-11-22-18)23-17(19(24)25)12-3-2-4-13(20)9-12/h2-11H,1H3
InChIKeyYLEKQTNXBQYGRW-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.50
Rot. Bonds3

About 6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one

6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one (PubChem CID 3235359) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
PubChem CID3235359
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cccc(Cl)c3)nc3cncnc32)cc1
InChIInChI=1S/C19H13ClN4O2/c1-26-15-7-5-14(6-8-15)24-18-16(10-21-11-22-18)23-17(19(24)25)12-3-2-4-13(20)9-12/h2-11H,1H3
InChIKeyYLEKQTNXBQYGRW-UHFFFAOYSA-N
XLogP3.50
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-Dichlorophenyl)-2-((4-(2-(diethylamino)ethoxy)phenyl)amino)-8-methylpyrido(2,3-d)pyrimidin-7(8H)-one
CID 5311382
6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-ethyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327909
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
2-[4-(2-Aminoethoxy)anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 5327904
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 67
CID 5327913
3-(2,6-Dichlorophenyl)-7-({4-[3-(diethylamino)propoxy]phenyl}amino)-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328717
3-(2,6-Dichlorophenyl)-1-methyl-7-({4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}amino)-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328719
6-(2,6-dichlorophenyl)-2-[(4-ethoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330525

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one (CID 3235359) is 6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one is COc1ccc(-n2c(=O)c(-c3cccc(Cl)c3)nc3cncnc32)cc1.
What is the InChIKey of 6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is YLEKQTNXBQYGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c1-26-15-7-5-14(6-8-15)24-18-16(10-21-11-22-18)23-17(19(24)25)12-3-2-4-13(20)9-12/h2-11H,1H3.
What are the key properties of 6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 364.79 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3235359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).