7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine

C14H16Cl2N2 — CID 113484977

IUPAC7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
SMILESCC(CCl)C(C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H16Cl2N2/c1-9(8-15)10(2)18-13-5-6-17-14-7-11(16)3-4-12(13)14/h3-7,9-10H,8H2,1-2H3,(H,17,18)
InChIKeyFXXBQZIQXPCKOO-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.56
Rot. Bonds4

About 7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine

7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine (PubChem CID 113484977) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
PubChem CID113484977
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
SMILESCC(CCl)C(C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H16Cl2N2/c1-9(8-15)10(2)18-13-5-6-17-14-7-11(16)3-4-12(13)14/h3-7,9-10H,8H2,1-2H3,(H,17,18)
InChIKeyFXXBQZIQXPCKOO-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.56
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

7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine
CID 7830951
2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
CID 114094467
7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133365714
7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 63613248

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine (CID 113484977) is 7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine is CC(CCl)C(C)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine?
The InChIKey is FXXBQZIQXPCKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-9(8-15)10(2)18-13-5-6-17-14-7-11(16)3-4-12(13)14/h3-7,9-10H,8H2,1-2H3,(H,17,18).
What are the key properties of 7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine?
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine has a molecular weight of 283.20 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine is sourced from PubChem (CID 113484977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).