N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine

C18H16N4O — CID 10447760

IUPACN-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine
SMILESCOc1cccc(Nc2cc(C)nc3ccc4[nH]ncc4c23)c1
InChIInChI=1S/C18H16N4O/c1-11-8-17(21-12-4-3-5-13(9-12)23-2)18-14-10-19-22-15(14)6-7-16(18)20-11/h3-10H,1-2H3,(H,19,22)(H,20,21)
InChIKeyQDKCZRHLHWCPBO-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.17
Rot. Bonds3

About N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine

N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine (PubChem CID 10447760) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine
PubChem CID10447760
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine
SMILESCOc1cccc(Nc2cc(C)nc3ccc4[nH]ncc4c23)c1
InChIInChI=1S/C18H16N4O/c1-11-8-17(21-12-4-3-5-13(9-12)23-2)18-14-10-19-22-15(14)6-7-16(18)20-11/h3-10H,1-2H3,(H,19,22)(H,20,21)
InChIKeyQDKCZRHLHWCPBO-UHFFFAOYSA-N
XLogP4.17
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine?
The IUPAC name of N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine (CID 10447760) is N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine?
The canonical SMILES for N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine is COc1cccc(Nc2cc(C)nc3ccc4[nH]ncc4c23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine?
The InChIKey is QDKCZRHLHWCPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-8-17(21-12-4-3-5-13(9-12)23-2)18-14-10-19-22-15(14)6-7-16(18)20-11/h3-10H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine?
N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine has a molecular weight of 304.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine is sourced from PubChem (CID 10447760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).