N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine

C21H22N4O — CID 56673358

IUPACN-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine
SMILESCCNCc1nc2c3ccccc3ncc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C21H22N4O/c1-3-22-13-20-24-21-17-6-4-5-7-18(17)23-12-19(21)25(20)14-15-8-10-16(26-2)11-9-15/h4-12,22H,3,13-14H2,1-2H3
InChIKeySURPFWIVAXNIFK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.75
Rot. Bonds6

About N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine

N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine (PubChem CID 56673358) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine
PubChem CID56673358
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine
SMILESCCNCc1nc2c3ccccc3ncc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C21H22N4O/c1-3-22-13-20-24-21-17-6-4-5-7-18(17)23-12-19(21)25(20)14-15-8-10-16(26-2)11-9-15/h4-12,22H,3,13-14H2,1-2H3
InChIKeySURPFWIVAXNIFK-UHFFFAOYSA-N
XLogP3.75
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine (CID 56673358) is N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine is CCNCc1nc2c3ccccc3ncc2n1Cc1ccc(OC)cc1.
What is the InChIKey of N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine?
The InChIKey is SURPFWIVAXNIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-22-13-20-24-21-17-6-4-5-7-18(17)23-12-19(21)25(20)14-15-8-10-16(26-2)11-9-15/h4-12,22H,3,13-14H2,1-2H3.
What are the key properties of N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine?
N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine has a molecular weight of 346.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]ethanamine is sourced from PubChem (CID 56673358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).