7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one

C15H12N6O2 — CID 42626000

IUPAC7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
SMILESCOc1ccc(-n2nc3c(N)nc4ncccc4n3c2=O)cc1
InChIInChI=1S/C15H12N6O2/c1-23-10-6-4-9(5-7-10)21-15(22)20-11-3-2-8-17-13(11)18-12(16)14(20)19-21/h2-8H,1H3,(H2,16,17,18)
InChIKeyOHFFWHQQVKAIFS-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.02
Rot. Bonds2

About 7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one

7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one (PubChem CID 42626000) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one.

Molecular Properties

Compound Name7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
PubChem CID42626000
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
SMILESCOc1ccc(-n2nc3c(N)nc4ncccc4n3c2=O)cc1
InChIInChI=1S/C15H12N6O2/c1-23-10-6-4-9(5-7-10)21-15(22)20-11-3-2-8-17-13(11)18-12(16)14(20)19-21/h2-8H,1H3,(H2,16,17,18)
InChIKeyOHFFWHQQVKAIFS-UHFFFAOYSA-N
XLogP1.02
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one with MolForge

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Related Compounds

N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
1-(4-Methoxyphenyl)-3-pyrazin-2-ylurea
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N-(4-methoxyphenyl)-5-nitropyridin-2-amine
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4-(4-methoxyphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
CID 937249
2-(4-Aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one
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8-(4-Aminophenyl)-2-(4-methoxyanilino)pteridin-7-one
CID 72712977
8-(3-Aminophenyl)-2-(4-methoxyanilino)pteridin-7-one
CID 72712978
2-(3-Aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one
CID 72712979
N-[4-[2-(4-methoxyanilino)-7-oxopteridin-8-yl]phenyl]acetamide
CID 145360613
N-(4-(3-(4-(pyridin-2-yl)piperazin-1-yl)propoxy)phenyl)acetamide (2f)
CID 91937744
Cambridge id 5250805
CID 790711
2-Anilino-8-(4-methoxyphenyl)pteridin-7-one
CID 3235039

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
The IUPAC name of 7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one (CID 42626000) is 7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one.
What is the SMILES notation for 7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
The canonical SMILES for 7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one is COc1ccc(-n2nc3c(N)nc4ncccc4n3c2=O)cc1.
What is the InChIKey of 7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
The InChIKey is OHFFWHQQVKAIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c1-23-10-6-4-9(5-7-10)21-15(22)20-11-3-2-8-17-13(11)18-12(16)14(20)19-21/h2-8H,1H3,(H2,16,17,18).
What are the key properties of 7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one has a molecular weight of 308.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one is sourced from PubChem (CID 42626000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).