2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one

C16H16N4O3 — CID 3232923

IUPAC2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(OC)nc32)c1
InChIInChI=1S/C16H16N4O3/c1-10-15(21)20(9-11-5-4-6-12(7-11)22-2)14-13(18-10)8-17-16(19-14)23-3/h4-8H,9H2,1-3H3
InChIKeyRLQWVYBVRNAQGS-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.56
Rot. Bonds4

About 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one

2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one (PubChem CID 3232923) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one.

Molecular Properties

Compound Name2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one
PubChem CID3232923
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(OC)nc32)c1
InChIInChI=1S/C16H16N4O3/c1-10-15(21)20(9-11-5-4-6-12(7-11)22-2)14-13(18-10)8-17-16(19-14)23-3/h4-8H,9H2,1-3H3
InChIKeyRLQWVYBVRNAQGS-UHFFFAOYSA-N
XLogP1.56
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 5457
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8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
2-[4-(3,5-Dimethoxybenzyl)-1-piperazinyl]pyrimidine
CID 3724501
3-Methoxyphenyl 4-pyrimidin-2-ylpiperazinyl ketone
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N2-(3-methoxybenzyl)-N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine
CID 10046543
4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10338811
5-[(3-Methoxyphenyl)methyl]-2-phenyl-5h-imidazo[4,5-c]pyridine
CID 10425842
4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10429933
1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-[(3-methoxyphenyl-)methyl]-2-piperidineacetamide
CID 16115232
1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone
CID 16739812
2-Amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one
CID 46182743

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one?
The IUPAC name of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one (CID 3232923) is 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one.
What is the SMILES notation for 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one?
The canonical SMILES for 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one is COc1cccc(Cn2c(=O)c(C)nc3cnc(OC)nc32)c1.
What is the InChIKey of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one?
The InChIKey is RLQWVYBVRNAQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-15(21)20(9-11-5-4-6-12(7-11)22-2)14-13(18-10)8-17-16(19-14)23-3/h4-8H,9H2,1-3H3.
What are the key properties of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one?
2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one has a molecular weight of 312.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one is sourced from PubChem (CID 3232923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).