7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine

C15H18ClN3 — CID 104973339

IUPAC7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCC[C@@H]3CCCN3)ccnc2c1
InChIInChI=1S/C15H18ClN3/c16-11-3-4-13-14(6-9-19-15(13)10-11)18-8-5-12-2-1-7-17-12/h3-4,6,9-10,12,17H,1-2,5,7-8H2,(H,18,19)/t12-/m0/s1
InChIKeyLMIFWCVHJWBXHA-LBPRGKRZSA-N
MW275.78 g/mol
LogP3.44
Rot. Bonds4

About 7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine

7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine (PubChem CID 104973339) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine
PubChem CID104973339
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCC[C@@H]3CCCN3)ccnc2c1
InChIInChI=1S/C15H18ClN3/c16-11-3-4-13-14(6-9-19-15(13)10-11)18-8-5-12-2-1-7-17-12/h3-4,6,9-10,12,17H,1-2,5,7-8H2,(H,18,19)/t12-/m0/s1
InChIKeyLMIFWCVHJWBXHA-LBPRGKRZSA-N
XLogP3.44
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine
CID 58223351
7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
CID 114794555
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine
CID 23355211
7-chloro-N-[[3-[[(7-chloroquinolin-4-yl)amino]methyl]cyclohexyl]methyl]quinolin-4-amine
CID 54463562
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
N-(azepan-4-yl)-7-chloroquinolin-4-amine
CID 107173682
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine (CID 104973339) is 7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine is Clc1ccc2c(NCC[C@@H]3CCCN3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine?
The InChIKey is LMIFWCVHJWBXHA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-11-3-4-13-14(6-9-19-15(13)10-11)18-8-5-12-2-1-7-17-12/h3-4,6,9-10,12,17H,1-2,5,7-8H2,(H,18,19)/t12-/m0/s1.
What are the key properties of 7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine?
7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine is sourced from PubChem (CID 104973339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).