5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine

C16H20ClFN2 — CID 107370538

IUPAC5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C16H20ClFN2/c1-5-6-19-16-14(9(2)3)10(4)20-13-8-11(18)7-12(17)15(13)16/h7-9H,5-6H2,1-4H3,(H,19,20)
InChIKeyMARBSEOHHXEUQD-UHFFFAOYSA-N
MW294.80 g/mol
LogP5.28
Rot. Bonds4

About 5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine

5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine (PubChem CID 107370538) has the molecular formula C16H20ClFN2 and a molecular weight of 294.80 g/mol. Its IUPAC name is 5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
PubChem CID107370538
Molecular FormulaC16H20ClFN2
Molecular Weight294.80 g/mol
Exact Mass294.13
IUPAC Name5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C16H20ClFN2/c1-5-6-19-16-14(9(2)3)10(4)20-13-8-11(18)7-12(17)15(13)16/h7-9H,5-6H2,1-4H3,(H,19,20)
InChIKeyMARBSEOHHXEUQD-UHFFFAOYSA-N
XLogP5.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.80
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine
CID 107370593
5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine
CID 107370539
5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine
CID 107370549
8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107628768
5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine
CID 107370527
8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63480623
6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 79772075
4-chloro-5,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 63409144
7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63481435
8-fluoro-2,6-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63479938
8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107629002
8-(methoxymethyl)-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63482759

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The IUPAC name of 5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine (CID 107370538) is 5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine.
What is the SMILES notation for 5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The canonical SMILES for 5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine is CCCNc1c(C(C)C)c(C)nc2cc(F)cc(Cl)c12.
What is the InChIKey of 5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The InChIKey is MARBSEOHHXEUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2/c1-5-6-19-16-14(9(2)3)10(4)20-13-8-11(18)7-12(17)15(13)16/h7-9H,5-6H2,1-4H3,(H,19,20).
What are the key properties of 5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine has a molecular weight of 294.80 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine is sourced from PubChem (CID 107370538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).