N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine

C15H18ClN3 — CID 102874825

IUPACN'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine
SMILESNCCN(c1ccnc2cc(Cl)ccc12)C1CCC1
InChIInChI=1S/C15H18ClN3/c16-11-4-5-13-14(10-11)18-8-6-15(13)19(9-7-17)12-2-1-3-12/h4-6,8,10,12H,1-3,7,9,17H2
InChIKeyFEDLOCNSBPKLQD-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.21
Rot. Bonds4

About N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine

N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine (PubChem CID 102874825) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine
PubChem CID102874825
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine
SMILESNCCN(c1ccnc2cc(Cl)ccc12)C1CCC1
InChIInChI=1S/C15H18ClN3/c16-11-4-5-13-14(10-11)18-8-6-15(13)19(9-7-17)12-2-1-3-12/h4-6,8,10,12H,1-3,7,9,17H2
InChIKeyFEDLOCNSBPKLQD-UHFFFAOYSA-N
XLogP3.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(7-chloroquinolin-4-yl)-N'-cyclopentylethane-1,2-diamine
CID 62586557
N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine
CID 80666227
3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile
CID 54997318
4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine
CID 66921322
N'-(3-chloro-4-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79840472
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
CID 57117786
N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494340
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676
N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2-cyclohexylbenzenecarbothioamide
CID 87205562
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
7-chloro-N-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642173

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine (CID 102874825) is N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine is NCCN(c1ccnc2cc(Cl)ccc12)C1CCC1.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine?
The InChIKey is FEDLOCNSBPKLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-11-4-5-13-14(10-11)18-8-6-15(13)19(9-7-17)12-2-1-3-12/h4-6,8,10,12H,1-3,7,9,17H2.
What are the key properties of N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine?
N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine has a molecular weight of 275.78 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine is sourced from PubChem (CID 102874825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).