N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine

C19H18N4O — CID 3566059

IUPACN-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine
SMILESCOc1ccc(Nc2c3ccccc3nc3c2c(C)nn3C)cc1
InChIInChI=1S/C19H18N4O/c1-12-17-18(20-13-8-10-14(24-3)11-9-13)15-6-4-5-7-16(15)21-19(17)23(2)22-12/h4-11H,1-3H3,(H,20,21)
InChIKeyCIVSXNOTCMZTDX-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.18
Rot. Bonds3

About N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine

N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine (PubChem CID 3566059) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine
PubChem CID3566059
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine
SMILESCOc1ccc(Nc2c3ccccc3nc3c2c(C)nn3C)cc1
InChIInChI=1S/C19H18N4O/c1-12-17-18(20-13-8-10-14(24-3)11-9-13)15-6-4-5-7-16(15)21-19(17)23(2)22-12/h4-11H,1-3H3,(H,20,21)
InChIKeyCIVSXNOTCMZTDX-UHFFFAOYSA-N
XLogP4.18
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine (CID 3566059) is N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine is COc1ccc(Nc2c3ccccc3nc3c2c(C)nn3C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine?
The InChIKey is CIVSXNOTCMZTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12-17-18(20-13-8-10-14(24-3)11-9-13)15-6-4-5-7-16(15)21-19(17)23(2)22-12/h4-11H,1-3H3,(H,20,21).
What are the key properties of N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine?
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine has a molecular weight of 318.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine is sourced from PubChem (CID 3566059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).