3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine

C17H24ClN3 — CID 10267118

IUPAC3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
SMILESCCN(CC)CCC(C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H24ClN3/c1-4-21(5-2)11-9-13(3)20-16-8-10-19-17-12-14(18)6-7-15(16)17/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,19,20)
InChIKeyRDVAABVHYHZVQE-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.42
Rot. Bonds7

About 3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine

3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine (PubChem CID 10267118) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
PubChem CID10267118
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
SMILESCCN(CC)CCC(C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H24ClN3/c1-4-21(5-2)11-9-13(3)20-16-8-10-19-17-12-14(18)6-7-15(16)17/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,19,20)
InChIKeyRDVAABVHYHZVQE-UHFFFAOYSA-N
XLogP4.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
CID 134081808
CID 134081808
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]-1,1,2,2-tetradeuterioethanol
CID 171394724
4-N-(7-chloro-3-tritioquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 10087451
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;phosphoric acid
CID 71586887
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine
CID 170239569
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-[2-(prop-1-en-2-ylamino)oxyethyl]pentane-1,4-diamine
CID 146188349

Frequently Asked Questions

What is the IUPAC name of 3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine?
The IUPAC name of 3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine (CID 10267118) is 3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine is CCN(CC)CCC(C)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine?
The InChIKey is RDVAABVHYHZVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-21(5-2)11-9-13(3)20-16-8-10-19-17-12-14(18)6-7-15(16)17/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,19,20).
What are the key properties of 3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine?
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine has a molecular weight of 305.85 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine is sourced from PubChem (CID 10267118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).