2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one

C21H17ClN4O3 — CID 3233566

IUPAC2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc21
InChIInChI=1S/C21H17ClN4O3/c1-28-11-10-26-19-17(24-18(20(26)27)14-6-3-2-4-7-14)13-23-21(25-19)29-16-9-5-8-15(22)12-16/h2-9,12-13H,10-11H2,1H3
InChIKeyOHSZAONIMAVXSO-UHFFFAOYSA-N
MW408.85 g/mol
LogP3.95
Rot. Bonds6

About 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one

2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one (PubChem CID 3233566) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one
PubChem CID3233566
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC Name2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc21
InChIInChI=1S/C21H17ClN4O3/c1-28-11-10-26-19-17(24-18(20(26)27)14-6-3-2-4-7-14)13-23-21(25-19)29-16-9-5-8-15(22)12-16/h2-9,12-13H,10-11H2,1H3
InChIKeyOHSZAONIMAVXSO-UHFFFAOYSA-N
XLogP3.95
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-({3-[2-(diethylamino)ethoxy]phenyl}amino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327908
6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-ethyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327909
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-(4-methoxyphenylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327896
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
6-(2,6-dichlorophenyl)-2-[(4-ethoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330525
N-[2-(4-{[6-(2,6-dichlorophenyl)-8-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-2-yl]amino}phenoxy)ethyl]-N-ethylacetamide
CID 5330526
PD 166285
CID 9916391
6-(2,6-dichlorophenyl)-2-({4-[2-(ethylamino)ethoxy]phenyl}amino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327905
6-(2,6-dichlorophenyl)-2-({4-[2-(dimethylamino)ethoxy]phenyl}amino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327906

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one?
The IUPAC name of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one (CID 3233566) is 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one?
The canonical SMILES for 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one is COCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc21.
What is the InChIKey of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one?
The InChIKey is OHSZAONIMAVXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-28-11-10-26-19-17(24-18(20(26)27)14-6-3-2-4-7-14)13-23-21(25-19)29-16-9-5-8-15(22)12-16/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one?
2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one has a molecular weight of 408.85 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one is sourced from PubChem (CID 3233566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).