N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine

C13H16ClN3 — CID 142090147

IUPACN'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine
SMILESCc1cc(Cl)cc2nccc(NCCCN)c12
InChIInChI=1S/C13H16ClN3/c1-9-7-10(14)8-12-13(9)11(3-6-17-12)16-5-2-4-15/h3,6-8H,2,4-5,15H2,1H3,(H,16,17)
InChIKeyXTGHVPQYCDZZQJ-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.96
Rot. Bonds4

About N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine

N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine (PubChem CID 142090147) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine
PubChem CID142090147
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine
SMILESCc1cc(Cl)cc2nccc(NCCCN)c12
InChIInChI=1S/C13H16ClN3/c1-9-7-10(14)8-12-13(9)11(3-6-17-12)16-5-2-4-15/h3,6-8H,2,4-5,15H2,1H3,(H,16,17)
InChIKeyXTGHVPQYCDZZQJ-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethyl-N-propylquinolin-4-amine
CID 62190648
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N'-(4-methyl-3-pyridinyl)propane-1,3-diamine
CID 66273701
CID 70870191
CID 70870191
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
CID 133347532
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine
CID 83830093

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine (CID 142090147) is N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine is Cc1cc(Cl)cc2nccc(NCCCN)c12.
What is the InChIKey of N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine?
The InChIKey is XTGHVPQYCDZZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-7-10(14)8-12-13(9)11(3-6-17-12)16-5-2-4-15/h3,6-8H,2,4-5,15H2,1H3,(H,16,17).
What are the key properties of N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine?
N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine has a molecular weight of 249.75 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 142090147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).