(E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine

C15H15ClN2 — CID 177206127

IUPAC(E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine
SMILES[H]/N=C(C)/C(=C/CC)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H15ClN2/c1-3-4-12(10(2)17)13-7-8-18-15-9-11(16)5-6-14(13)15/h4-9,17H,3H2,1-2H3/b12-4-,17-10+
InChIKeySDBCQCDHFLFMEA-ILCKJNAXSA-N
MW258.75 g/mol
LogP4.72
Rot. Bonds3

About (E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine

(E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine (PubChem CID 177206127) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine.

Molecular Properties

Compound Name(E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine
PubChem CID177206127
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name(E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine
SMILES[H]/N=C(C)/C(=C/CC)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H15ClN2/c1-3-4-12(10(2)17)13-7-8-18-15-9-11(16)5-6-14(13)15/h4-9,17H,3H2,1-2H3/b12-4-,17-10+
InChIKeySDBCQCDHFLFMEA-ILCKJNAXSA-N
XLogP4.72
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(7-chloroquinolin-4-yl)propan-1-one
CID 139684148
4,7-dichloroquinoline
CID 6866
7-chloro-4-(2-chloropentan-3-yl)quinoline
CID 63529211
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide
CID 54990454
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
1-(7-chloroquinolin-4-yl)ethanone;(7-chloroquinolin-4-yl) trifluoromethanesulfonate
CID 158754838
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
N-butyl-7-chloroquinolin-4-amine
CID 10037042

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine?
The IUPAC name of (E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine (CID 177206127) is (E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine.
What is the SMILES notation for (E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine?
The canonical SMILES for (E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine is [H]/N=C(C)/C(=C/CC)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of (E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine?
The InChIKey is SDBCQCDHFLFMEA-ILCKJNAXSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-3-4-12(10(2)17)13-7-8-18-15-9-11(16)5-6-14(13)15/h4-9,17H,3H2,1-2H3/b12-4-,17-10+.
What are the key properties of (E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine?
(E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine has a molecular weight of 258.75 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine is sourced from PubChem (CID 177206127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).