1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine

C17H23ClN2 — CID 63202281

IUPAC1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccnc2cc(Cl)ccc12)C(C)C
InChIInChI=1S/C17H23ClN2/c1-4-8-19-16(12(2)3)10-13-7-9-20-17-11-14(18)5-6-15(13)17/h5-7,9,11-12,16,19H,4,8,10H2,1-3H3
InChIKeyYCYNOCCUFCWRPM-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.45
Rot. Bonds6

About 1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine

1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine (PubChem CID 63202281) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine
PubChem CID63202281
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccnc2cc(Cl)ccc12)C(C)C
InChIInChI=1S/C17H23ClN2/c1-4-8-19-16(12(2)3)10-13-7-9-20-17-11-14(18)5-6-15(13)17/h5-7,9,11-12,16,19H,4,8,10H2,1-3H3
InChIKeyYCYNOCCUFCWRPM-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
3-ethyl-N-propyl-1-quinolin-4-ylpentan-2-amine
CID 104997448
1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine
CID 63202230
1-(2,5-dichlorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721742
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
N-butyl-7-chloroquinolin-4-amine
CID 10037042
1-(3-chloro-4-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 103039834
3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine
CID 62347734
7-chloro-4-(2-chloropentan-3-yl)quinoline
CID 63529211
N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
CID 55090859
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine (CID 63202281) is 1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine is CCCNC(Cc1ccnc2cc(Cl)ccc12)C(C)C.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine?
The InChIKey is YCYNOCCUFCWRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-4-8-19-16(12(2)3)10-13-7-9-20-17-11-14(18)5-6-15(13)17/h5-7,9,11-12,16,19H,4,8,10H2,1-3H3.
What are the key properties of 1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine?
1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine has a molecular weight of 290.84 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 63202281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).