4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine

C14H17ClN2 — CID 82577739

IUPAC4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine
SMILESCc1cc(CCCCN)nc2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN2/c1-10-8-12(4-2-3-7-16)17-14-9-11(15)5-6-13(10)14/h5-6,8-9H,2-4,7,16H2,1H3
InChIKeyYLFRKSFXIZYCPV-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.48
Rot. Bonds4

About 4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine

4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine (PubChem CID 82577739) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine
PubChem CID82577739
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine
SMILESCc1cc(CCCCN)nc2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN2/c1-10-8-12(4-2-3-7-16)17-14-9-11(15)5-6-13(10)14/h5-6,8-9H,2-4,7,16H2,1H3
InChIKeyYLFRKSFXIZYCPV-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine
CID 82577735
2-butyl-6-chloro-4-methylquinoline
CID 23624331
2-(7-chloro-4-methylquinolin-2-yl)acetonitrile
CID 84622518
3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
CID 82576605
4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine
CID 82577769
2-(6-chloro-4,8-dimethylquinolin-2-yl)ethanamine
CID 82575556
4-(4-chloro-2-methylphenyl)butan-1-amine
CID 82282107
2-hexyl-4-methylquinoline
CID 504074
3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
CID 82576607
4-(4,6-dimethyl-2-pyridinyl)butan-1-amine
CID 67823775
7-chloro-4-methylquinoline-2-carboximidamide
CID 82573454
(7-chloro-3-methylquinoxalin-2-yl)methanamine
CID 117274858

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine?
The IUPAC name of 4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine (CID 82577739) is 4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine.
What is the SMILES notation for 4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine?
The canonical SMILES for 4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine is Cc1cc(CCCCN)nc2cc(Cl)ccc12.
What is the InChIKey of 4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine?
The InChIKey is YLFRKSFXIZYCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-10-8-12(4-2-3-7-16)17-14-9-11(15)5-6-13(10)14/h5-6,8-9H,2-4,7,16H2,1H3.
What are the key properties of 4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine?
4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine has a molecular weight of 248.76 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine is sourced from PubChem (CID 82577739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).