N-butyl-7-chloroquinolin-4-amine

C13H15ClN2 — CID 10037042

IUPACN-butyl-7-chloroquinolin-4-amine
SMILESCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2/c1-2-3-7-15-12-6-8-16-13-9-10(14)4-5-11(12)13/h4-6,8-9H,2-3,7H2,1H3,(H,15,16)
InChIKeyFPZJKZMRHTUROD-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.10
Rot. Bonds4

About N-butyl-7-chloroquinolin-4-amine

N-butyl-7-chloroquinolin-4-amine (PubChem CID 10037042) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is N-butyl-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-butyl-7-chloroquinolin-4-amine
PubChem CID10037042
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC NameN-butyl-7-chloroquinolin-4-amine
SMILESCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2/c1-2-3-7-15-12-6-8-16-13-9-10(14)4-5-11(12)13/h4-6,8-9H,2-3,7H2,1H3,(H,15,16)
InChIKeyFPZJKZMRHTUROD-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-7-chloroquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
2-N-butyl-4-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]pyrimidine-2,4-diamine
CID 163709350
N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
CID 70870191
CID 70870191
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
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
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 11048809

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-chloroquinolin-4-amine?
The IUPAC name of N-butyl-7-chloroquinolin-4-amine (CID 10037042) is N-butyl-7-chloroquinolin-4-amine.
What is the SMILES notation for N-butyl-7-chloroquinolin-4-amine?
The canonical SMILES for N-butyl-7-chloroquinolin-4-amine is CCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-butyl-7-chloroquinolin-4-amine?
The InChIKey is FPZJKZMRHTUROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-2-3-7-15-12-6-8-16-13-9-10(14)4-5-11(12)13/h4-6,8-9H,2-3,7H2,1H3,(H,15,16).
What are the key properties of N-butyl-7-chloroquinolin-4-amine?
N-butyl-7-chloroquinolin-4-amine has a molecular weight of 234.73 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-chloroquinolin-4-amine is sourced from PubChem (CID 10037042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).