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

C14H17ClN2 — CID 28826141

IUPAC7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
SMILESCC(C)[C@@H](C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN2/c1-9(2)10(3)17-13-6-7-16-14-8-11(15)4-5-12(13)14/h4-10H,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyZSBVDOWKCDSPBL-SNVBAGLBSA-N
MW248.76 g/mol
LogP4.34
Rot. Bonds3

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

7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine (PubChem CID 28826141) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
PubChem CID28826141
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
SMILESCC(C)[C@@H](C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN2/c1-9(2)10(3)17-13-6-7-16-14-8-11(15)4-5-12(13)14/h4-10H,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyZSBVDOWKCDSPBL-SNVBAGLBSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine
CID 7830951
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 63613248
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine
CID 23355211
2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
CID 114094467
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine (CID 28826141) is 7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine is CC(C)[C@@H](C)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine?
The InChIKey is ZSBVDOWKCDSPBL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9(2)10(3)17-13-6-7-16-14-8-11(15)4-5-12(13)14/h4-10H,1-3H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine?
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine has a molecular weight of 248.76 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine is sourced from PubChem (CID 28826141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).