8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine

C17H23ClN2 — CID 107628768

IUPAC8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2c(Cl)ccc(C)c12
InChIInChI=1S/C17H23ClN2/c1-6-9-19-17-14(10(2)3)12(5)20-16-13(18)8-7-11(4)15(16)17/h7-8,10H,6,9H2,1-5H3,(H,19,20)
InChIKeyXBAAFDUXSBDTEH-UHFFFAOYSA-N
MW290.84 g/mol
LogP5.45
Rot. Bonds4

About 8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine

8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine (PubChem CID 107628768) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
PubChem CID107628768
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2c(Cl)ccc(C)c12
InChIInChI=1S/C17H23ClN2/c1-6-9-19-17-14(10(2)3)12(5)20-16-13(18)8-7-11(4)15(16)17/h7-8,10H,6,9H2,1-5H3,(H,19,20)
InChIKeyXBAAFDUXSBDTEH-UHFFFAOYSA-N
XLogP5.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672
8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63480623
7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63481435
8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine
CID 114260950
5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 55196144
5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107370538
8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107629002
5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
CID 63481445
4,5,8-trichloro-2-methyl-3-propan-2-ylquinoline
CID 55188455
5,8-dichloro-2-ethyl-N-propylquinolin-4-amine
CID 63480385
(5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
CID 63483898
8-(methoxymethyl)-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63482759

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine?
The IUPAC name of 8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine (CID 107628768) is 8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine.
What is the SMILES notation for 8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine?
The canonical SMILES for 8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine is CCCNc1c(C(C)C)c(C)nc2c(Cl)ccc(C)c12.
What is the InChIKey of 8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine?
The InChIKey is XBAAFDUXSBDTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-6-9-19-17-14(10(2)3)12(5)20-16-13(18)8-7-11(4)15(16)17/h7-8,10H,6,9H2,1-5H3,(H,19,20).
What are the key properties of 8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine?
8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine has a molecular weight of 290.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine is sourced from PubChem (CID 107628768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).