N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine

C21H23N3 — CID 174695439

IUPACN-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine
SMILESc1cc(CCN2CCCC2)cc(Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C21H23N3/c1-2-13-24(12-1)14-10-17-5-3-7-19(15-17)23-20-8-9-21-18(16-20)6-4-11-22-21/h3-9,11,15-16,23H,1-2,10,12-14H2
InChIKeyVWTBKWIZGJOBNT-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.62
Rot. Bonds5

About N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine

N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine (PubChem CID 174695439) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine.

Molecular Properties

Compound NameN-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine
PubChem CID174695439
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine
SMILESc1cc(CCN2CCCC2)cc(Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C21H23N3/c1-2-13-24(12-1)14-10-17-5-3-7-19(15-17)23-20-8-9-21-18(16-20)6-4-11-22-21/h3-9,11,15-16,23H,1-2,10,12-14H2
InChIKeyVWTBKWIZGJOBNT-UHFFFAOYSA-N
XLogP4.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine?
The IUPAC name of N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine (CID 174695439) is N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine.
What is the SMILES notation for N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine?
The canonical SMILES for N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine is c1cc(CCN2CCCC2)cc(Nc2ccc3ncccc3c2)c1.
What is the InChIKey of N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine?
The InChIKey is VWTBKWIZGJOBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-2-13-24(12-1)14-10-17-5-3-7-19(15-17)23-20-8-9-21-18(16-20)6-4-11-22-21/h3-9,11,15-16,23H,1-2,10,12-14H2.
What are the key properties of N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine?
N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine has a molecular weight of 317.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine is sourced from PubChem (CID 174695439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).