7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine

C15H18ClN3 — CID 23355211

IUPAC7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine
SMILESCC(Nc1ccnc2cc(Cl)ccc12)C1CCCN1
InChIInChI=1S/C15H18ClN3/c1-10(13-3-2-7-17-13)19-14-6-8-18-15-9-11(16)4-5-12(14)15/h4-6,8-10,13,17H,2-3,7H2,1H3,(H,18,19)
InChIKeyHFZFESUBHMHCMG-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.44
Rot. Bonds3

About 7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine

7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine (PubChem CID 23355211) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine
PubChem CID23355211
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine
SMILESCC(Nc1ccnc2cc(Cl)ccc12)C1CCCN1
InChIInChI=1S/C15H18ClN3/c1-10(13-3-2-7-17-13)19-14-6-8-18-15-9-11(16)4-5-12(14)15/h4-6,8-10,13,17H,2-3,7H2,1H3,(H,18,19)
InChIKeyHFZFESUBHMHCMG-UHFFFAOYSA-N
XLogP3.44
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine (CID 23355211) is 7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine is CC(Nc1ccnc2cc(Cl)ccc12)C1CCCN1.
What is the InChIKey of 7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine?
The InChIKey is HFZFESUBHMHCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10(13-3-2-7-17-13)19-14-6-8-18-15-9-11(16)4-5-12(14)15/h4-6,8-10,13,17H,2-3,7H2,1H3,(H,18,19).
What are the key properties of 7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine?
7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine is sourced from PubChem (CID 23355211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).