N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine

C23H27N3 — CID 11100047

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
SMILESCCN1CCCC1CNc1cc(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C23H27N3/c1-3-26-14-6-7-19(26)16-24-23-15-22(18-12-10-17(2)11-13-18)25-21-9-5-4-8-20(21)23/h4-5,8-13,15,19H,3,6-7,14,16H2,1-2H3,(H,24,25)
InChIKeyUISDPQXACUWQTC-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.11
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine (PubChem CID 11100047) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
PubChem CID11100047
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
SMILESCCN1CCCC1CNc1cc(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C23H27N3/c1-3-26-14-6-7-19(26)16-24-23-15-22(18-12-10-17(2)11-13-18)25-21-9-5-4-8-20(21)23/h4-5,8-13,15,19H,3,6-7,14,16H2,1-2H3,(H,24,25)
InChIKeyUISDPQXACUWQTC-UHFFFAOYSA-N
XLogP5.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine (CID 11100047) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine is CCN1CCCC1CNc1cc(-c2ccc(C)cc2)nc2ccccc12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine?
The InChIKey is UISDPQXACUWQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-3-26-14-6-7-19(26)16-24-23-15-22(18-12-10-17(2)11-13-18)25-21-9-5-4-8-20(21)23/h4-5,8-13,15,19H,3,6-7,14,16H2,1-2H3,(H,24,25).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine has a molecular weight of 345.49 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine is sourced from PubChem (CID 11100047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).