2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one

C21H18N4O4 — CID 3232827

IUPAC2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(OC)nc3n(-c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C21H18N4O4/c1-27-15-8-4-13(5-9-15)18-20(26)25(14-6-10-16(28-2)11-7-14)19-17(23-18)12-22-21(24-19)29-3/h4-12H,1-3H3
InChIKeyRBSBKGUZQXFDHP-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.87
Rot. Bonds5

About 2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one

2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one (PubChem CID 3232827) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one
PubChem CID3232827
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(OC)nc3n(-c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C21H18N4O4/c1-27-15-8-4-13(5-9-15)18-20(26)25(14-6-10-16(28-2)11-7-14)19-17(23-18)12-22-21(24-19)29-3/h4-12H,1-3H3
InChIKeyRBSBKGUZQXFDHP-UHFFFAOYSA-N
XLogP2.87
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
N-[3-[6-(2-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 166625820
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)propanamide
CID 24830062
N-(2-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24830389
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
N-(2-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethoxy)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24831015
3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2(1H)-one
CID 24879309

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one (CID 3232827) is 2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one is COc1ccc(-c2nc3cnc(OC)nc3n(-c3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one?
The InChIKey is RBSBKGUZQXFDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-27-15-8-4-13(5-9-15)18-20(26)25(14-6-10-16(28-2)11-7-14)19-17(23-18)12-22-21(24-19)29-3/h4-12H,1-3H3.
What are the key properties of 2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one?
2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one has a molecular weight of 390.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3232827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).