8-(4-methoxyphenyl)-6-phenylpteridin-7-one

C19H14N4O2 — CID 3233402

IUPAC8-(4-methoxyphenyl)-6-phenylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccccc3)nc3cncnc32)cc1
InChIInChI=1S/C19H14N4O2/c1-25-15-9-7-14(8-10-15)23-18-16(11-20-12-21-18)22-17(19(23)24)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyBTBCBMIQAPKTHX-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.85
Rot. Bonds3

About 8-(4-methoxyphenyl)-6-phenylpteridin-7-one

8-(4-methoxyphenyl)-6-phenylpteridin-7-one (PubChem CID 3233402) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-6-phenylpteridin-7-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-6-phenylpteridin-7-one
PubChem CID3233402
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name8-(4-methoxyphenyl)-6-phenylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccccc3)nc3cncnc32)cc1
InChIInChI=1S/C19H14N4O2/c1-25-15-9-7-14(8-10-15)23-18-16(11-20-12-21-18)22-17(19(23)24)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyBTBCBMIQAPKTHX-UHFFFAOYSA-N
XLogP2.85
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

p-(18F)MPPF
CID 5352127
6-(2,6-Dichlorophenyl)-2-(4-methoxyphenylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327896
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
N-[3-[6-(2-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 166625820
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-N-pyridin-2-yl-benzamide
CID 9823206
N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24830706
N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24831013
N-(2-(2-(4-methoxyphenyl)-6-(3-methylbenzylamino)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24831014
3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2(1H)-one
CID 24879309
N-[2-[2-[(4-chloro-3-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094272

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-6-phenylpteridin-7-one?
The IUPAC name of 8-(4-methoxyphenyl)-6-phenylpteridin-7-one (CID 3233402) is 8-(4-methoxyphenyl)-6-phenylpteridin-7-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-6-phenylpteridin-7-one?
The canonical SMILES for 8-(4-methoxyphenyl)-6-phenylpteridin-7-one is COc1ccc(-n2c(=O)c(-c3ccccc3)nc3cncnc32)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-6-phenylpteridin-7-one?
The InChIKey is BTBCBMIQAPKTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-25-15-9-7-14(8-10-15)23-18-16(11-20-12-21-18)22-17(19(23)24)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 8-(4-methoxyphenyl)-6-phenylpteridin-7-one?
8-(4-methoxyphenyl)-6-phenylpteridin-7-one has a molecular weight of 330.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-6-phenylpteridin-7-one is sourced from PubChem (CID 3233402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).