7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine

C13H14Cl2N2 — CID 65027745

IUPAC7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
SMILESCC(C)(CCl)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H14Cl2N2/c1-13(2,8-14)17-11-5-6-16-12-7-9(15)3-4-10(11)12/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyVLXAGQRHFSWDPN-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.32
Rot. Bonds3

About 7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine

7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine (PubChem CID 65027745) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
PubChem CID65027745
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
SMILESCC(C)(CCl)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H14Cl2N2/c1-13(2,8-14)17-11-5-6-16-12-7-9(15)3-4-10(11)12/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyVLXAGQRHFSWDPN-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.32
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

(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
N-butyl-7-chloroquinolin-4-amine
CID 10037042
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 11644996
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid
CID 64667465
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride
CID 70204147

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine (CID 65027745) is 7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine is CC(C)(CCl)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine?
The InChIKey is VLXAGQRHFSWDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-13(2,8-14)17-11-5-6-16-12-7-9(15)3-4-10(11)12/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine?
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine has a molecular weight of 269.18 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine is sourced from PubChem (CID 65027745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).