5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one

C16H20N4O — CID 163574952

IUPAC5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one
SMILESCC1=C(N)C2=C(C=CCN2)C(N)C1NC1=CC=CC(=O)C1
InChIInChI=1S/C16H20N4O/c1-9-13(17)16-12(6-3-7-19-16)14(18)15(9)20-10-4-2-5-11(21)8-10/h2-6,14-15,19-20H,7-8,17-18H2,1H3
InChIKeyWZBZSMWDQKOVBR-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.34
Rot. Bonds2

About 5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one

5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one (PubChem CID 163574952) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one
PubChem CID163574952
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one
SMILESCC1=C(N)C2=C(C=CCN2)C(N)C1NC1=CC=CC(=O)C1
InChIInChI=1S/C16H20N4O/c1-9-13(17)16-12(6-3-7-19-16)14(18)15(9)20-10-4-2-5-11(21)8-10/h2-6,14-15,19-20H,7-8,17-18H2,1H3
InChIKeyWZBZSMWDQKOVBR-UHFFFAOYSA-N
XLogP0.34
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one?
The IUPAC name of 5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one (CID 163574952) is 5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one is CC1=C(N)C2=C(C=CCN2)C(N)C1NC1=CC=CC(=O)C1.
What is the InChIKey of 5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one?
The InChIKey is WZBZSMWDQKOVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-9-13(17)16-12(6-3-7-19-16)14(18)15(9)20-10-4-2-5-11(21)8-10/h2-6,14-15,19-20H,7-8,17-18H2,1H3.
What are the key properties of 5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one?
5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one has a molecular weight of 284.36 g/mol, XLogP of 0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,8-diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 163574952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).