3-tert-butyl-8-chloro-N-propylquinolin-2-amine

C16H21ClN2 — CID 55184386

IUPAC3-tert-butyl-8-chloro-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(Cl)cccc2cc1C(C)(C)C
InChIInChI=1S/C16H21ClN2/c1-5-9-18-15-12(16(2,3)4)10-11-7-6-8-13(17)14(11)19-15/h6-8,10H,5,9H2,1-4H3,(H,18,19)
InChIKeyZGICAUUQRHPXPT-UHFFFAOYSA-N
MW276.81 g/mol
LogP5.01
Rot. Bonds3

About 3-tert-butyl-8-chloro-N-propylquinolin-2-amine

3-tert-butyl-8-chloro-N-propylquinolin-2-amine (PubChem CID 55184386) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 3-tert-butyl-8-chloro-N-propylquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-8-chloro-N-propylquinolin-2-amine
PubChem CID55184386
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name3-tert-butyl-8-chloro-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(Cl)cccc2cc1C(C)(C)C
InChIInChI=1S/C16H21ClN2/c1-5-9-18-15-12(16(2,3)4)10-11-7-6-8-13(17)14(11)19-15/h6-8,10H,5,9H2,1-4H3,(H,18,19)
InChIKeyZGICAUUQRHPXPT-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.81
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine
CID 63382523
8-chloro-N-ethyl-3-propylquinolin-2-amine
CID 55224873
3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine
CID 63385895
8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine
CID 63525062
2,8-dichloro-3-propylquinoline
CID 63531217
3-tert-butyl-2-chloro-8-ethylquinoline
CID 63382109
3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine
CID 103587511
8-chloro-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480780
8-fluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524722
5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine
CID 63524554
N,3-dipropylbenzo[h]quinolin-2-amine
CID 63526295
3-tert-butyl-2-chloro-8-ethoxyquinoline
CID 63382066

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-chloro-N-propylquinolin-2-amine?
The IUPAC name of 3-tert-butyl-8-chloro-N-propylquinolin-2-amine (CID 55184386) is 3-tert-butyl-8-chloro-N-propylquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-8-chloro-N-propylquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-8-chloro-N-propylquinolin-2-amine is CCCNc1nc2c(Cl)cccc2cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-8-chloro-N-propylquinolin-2-amine?
The InChIKey is ZGICAUUQRHPXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-5-9-18-15-12(16(2,3)4)10-11-7-6-8-13(17)14(11)19-15/h6-8,10H,5,9H2,1-4H3,(H,18,19).
What are the key properties of 3-tert-butyl-8-chloro-N-propylquinolin-2-amine?
3-tert-butyl-8-chloro-N-propylquinolin-2-amine has a molecular weight of 276.81 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-chloro-N-propylquinolin-2-amine is sourced from PubChem (CID 55184386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).