2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one

C14H13ClN4O2 — CID 175229386

IUPAC2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one
SMILESCOc1ccc(CN2CC(=O)Nc3cnc(Cl)nc32)cc1
InChIInChI=1S/C14H13ClN4O2/c1-21-10-4-2-9(3-5-10)7-19-8-12(20)17-11-6-16-14(15)18-13(11)19/h2-6H,7-8H2,1H3,(H,17,20)
InChIKeyCOZUKZNOYDUCHS-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.10
Rot. Bonds3

About 2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one

2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one (PubChem CID 175229386) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one
PubChem CID175229386
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one
SMILESCOc1ccc(CN2CC(=O)Nc3cnc(Cl)nc32)cc1
InChIInChI=1S/C14H13ClN4O2/c1-21-10-4-2-9(3-5-10)7-19-8-12(20)17-11-6-16-14(15)18-13(11)19/h2-6H,7-8H2,1H3,(H,17,20)
InChIKeyCOZUKZNOYDUCHS-UHFFFAOYSA-N
XLogP2.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione
CID 102432545
2-chloro-7,7-difluoro-9-[(4-methoxyphenyl)methyl]-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 86637523
7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 177261613
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
CID 132544265
2-chloro-9-phenyl-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 58153911
8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one
CID 162660458
1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 39834353
4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 81145854
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
4-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100594

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one?
The IUPAC name of 2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one (CID 175229386) is 2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one.
What is the SMILES notation for 2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one?
The canonical SMILES for 2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one is COc1ccc(CN2CC(=O)Nc3cnc(Cl)nc32)cc1.
What is the InChIKey of 2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one?
The InChIKey is COZUKZNOYDUCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-21-10-4-2-9(3-5-10)7-19-8-12(20)17-11-6-16-14(15)18-13(11)19/h2-6H,7-8H2,1H3,(H,17,20).
What are the key properties of 2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one?
2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one has a molecular weight of 304.74 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 175229386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).