N-(1-chlorobutan-2-yl)quinolin-4-amine

C13H15ClN2 — CID 65030067

IUPACN-(1-chlorobutan-2-yl)quinolin-4-amine
SMILESCCC(CCl)Nc1ccnc2ccccc12
InChIInChI=1S/C13H15ClN2/c1-2-10(9-14)16-13-7-8-15-12-6-4-3-5-11(12)13/h3-8,10H,2,9H2,1H3,(H,15,16)
InChIKeySCUCXYNGKDKVNM-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.66
Rot. Bonds4

About N-(1-chlorobutan-2-yl)quinolin-4-amine

N-(1-chlorobutan-2-yl)quinolin-4-amine (PubChem CID 65030067) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)quinolin-4-amine
PubChem CID65030067
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC NameN-(1-chlorobutan-2-yl)quinolin-4-amine
SMILESCCC(CCl)Nc1ccnc2ccccc12
InChIInChI=1S/C13H15ClN2/c1-2-10(9-14)16-13-7-8-15-12-6-4-3-5-11(12)13/h3-8,10H,2,9H2,1H3,(H,15,16)
InChIKeySCUCXYNGKDKVNM-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-ylquinolin-4-amine
CID 61340263
N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 79267735
N-ethylquinolin-4-amine
CID 15306588
N-(2-methylbutyl)quinolin-4-amine
CID 62694785
1-N-quinolin-4-ylbutane-1,2-diamine
CID 63730587
1-(quinolin-4-ylamino)pentan-2-ol
CID 113234733
N-(2-chloro-3-ethylpentyl)quinolin-4-amine
CID 106287021
3-N-quinolin-4-ylbutane-1,3-diamine
CID 83179618
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
4-(2-chlorobutyl)quinoline
CID 63203241
N-(1-cyclopropylethyl)quinolin-4-amine
CID 61340996

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)quinolin-4-amine?
The IUPAC name of N-(1-chlorobutan-2-yl)quinolin-4-amine (CID 65030067) is N-(1-chlorobutan-2-yl)quinolin-4-amine.
What is the SMILES notation for N-(1-chlorobutan-2-yl)quinolin-4-amine?
The canonical SMILES for N-(1-chlorobutan-2-yl)quinolin-4-amine is CCC(CCl)Nc1ccnc2ccccc12.
What is the InChIKey of N-(1-chlorobutan-2-yl)quinolin-4-amine?
The InChIKey is SCUCXYNGKDKVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-2-10(9-14)16-13-7-8-15-12-6-4-3-5-11(12)13/h3-8,10H,2,9H2,1H3,(H,15,16).
What are the key properties of N-(1-chlorobutan-2-yl)quinolin-4-amine?
N-(1-chlorobutan-2-yl)quinolin-4-amine has a molecular weight of 234.73 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)quinolin-4-amine is sourced from PubChem (CID 65030067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).