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

C17H23ClN2 — CID 63481435

IUPAC7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C17H23ClN2/c1-6-9-19-17-13-7-8-14(18)11(4)16(13)20-12(5)15(17)10(2)3/h7-8,10H,6,9H2,1-5H3,(H,19,20)
InChIKeyQEROFYKGRQNLMP-UHFFFAOYSA-N
MW290.84 g/mol
LogP5.45
Rot. Bonds4

About 7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine

7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine (PubChem CID 63481435) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
PubChem CID63481435
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C17H23ClN2/c1-6-9-19-17-13-7-8-14(18)11(4)16(13)20-12(5)15(17)10(2)3/h7-8,10H,6,9H2,1-5H3,(H,19,20)
InChIKeyQEROFYKGRQNLMP-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

Analyze 7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine with MolForge

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Related Compounds

8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63480623
8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107628768
8-(methoxymethyl)-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63482759
8-fluoro-2,6-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63479938
8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672
6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 79772075
N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine
CID 63480758
7-chloro-N,3-diethyl-2,8-dimethylquinolin-4-amine
CID 63480239
3-ethyl-2,7,8-trimethyl-N-propylquinolin-4-amine
CID 63480442
8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine
CID 114260950
7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine
CID 63479361
8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107629002

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine?
The IUPAC name of 7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine (CID 63481435) is 7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine.
What is the SMILES notation for 7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine?
The canonical SMILES for 7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine is CCCNc1c(C(C)C)c(C)nc2c(C)c(Cl)ccc12.
What is the InChIKey of 7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine?
The InChIKey is QEROFYKGRQNLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-6-9-19-17-13-7-8-14(18)11(4)16(13)20-12(5)15(17)10(2)3/h7-8,10H,6,9H2,1-5H3,(H,19,20).
What are the key properties of 7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine?
7-chloro-2,8-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 7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine is sourced from PubChem (CID 63481435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).