(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine

C16H22ClN3 — CID 11666461

IUPAC(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)C[C@H](C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H22ClN3/c1-4-20(5-2)11-12(3)19-15-8-9-18-16-10-13(17)6-7-14(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyAYIMLGUKGKQMDT-LBPRGKRZSA-N
MW291.83 g/mol
LogP4.03
Rot. Bonds6

About (2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine

(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 11666461) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is (2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID11666461
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)C[C@H](C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H22ClN3/c1-4-20(5-2)11-12(3)19-15-8-9-18-16-10-13(17)6-7-14(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyAYIMLGUKGKQMDT-LBPRGKRZSA-N
XLogP4.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine
CID 10778800
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]-1,1,2,2-tetradeuterioethanol
CID 171394724
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
CID 24774700
CID 134081808
CID 134081808

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of (2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine (CID 11666461) is (2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for (2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)C[C@H](C)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of (2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is AYIMLGUKGKQMDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-20(5-2)11-12(3)19-15-8-9-18-16-10-13(17)6-7-14(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine?
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 291.83 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 11666461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).