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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Related Compounds

ethyl 2-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]acetate;hydrochloride
CID 45052581
1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine
CID 24766988
1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine
CID 70088815
1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine
CID 90678436
N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride
CID 90678432
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
N-(4-methoxyphenyl)-3-phenylquinolin-4-amine
CID 70695069
1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434899
methyl 4-[(1-methylpyrazolo[3,4-b]quinolin-4-yl)amino]benzoate
CID 59002401
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
1,3,5-trimethyl-N-phenylpyrazol-4-amine
CID 82537419
6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58345945

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).