1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine

C19H18N4 — CID 627434

IUPAC1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine
SMILESCc1ccc(Nc2c3cc(C)ccc3nc3cnn(C)c23)cc1
InChIInChI=1S/C19H18N4/c1-12-4-7-14(8-5-12)21-18-15-10-13(2)6-9-16(15)22-17-11-20-23(3)19(17)18/h4-11H,1-3H3,(H,21,22)
InChIKeyGDZYBIJOOLGKAU-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.48
Rot. Bonds2

About 1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine

1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine (PubChem CID 627434) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine.

Molecular Properties

Compound Name1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine
PubChem CID627434
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine
SMILESCc1ccc(Nc2c3cc(C)ccc3nc3cnn(C)c23)cc1
InChIInChI=1S/C19H18N4/c1-12-4-7-14(8-5-12)21-18-15-10-13(2)6-9-16(15)22-17-11-20-23(3)19(17)18/h4-11H,1-3H3,(H,21,22)
InChIKeyGDZYBIJOOLGKAU-UHFFFAOYSA-N
XLogP4.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine?
The IUPAC name of 1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine (CID 627434) is 1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine.
What is the SMILES notation for 1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine?
The canonical SMILES for 1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine is Cc1ccc(Nc2c3cc(C)ccc3nc3cnn(C)c23)cc1.
What is the InChIKey of 1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine?
The InChIKey is GDZYBIJOOLGKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-12-4-7-14(8-5-12)21-18-15-10-13(2)6-9-16(15)22-17-11-20-23(3)19(17)18/h4-11H,1-3H3,(H,21,22).
What are the key properties of 1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine?
1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine has a molecular weight of 302.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine is sourced from PubChem (CID 627434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).