7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine

C16H21FN2 — CID 112674490

IUPAC7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine
SMILESCCCNc1nc2cc(F)c(C)cc2cc1C(C)C
InChIInChI=1S/C16H21FN2/c1-5-6-18-16-13(10(2)3)8-12-7-11(4)14(17)9-15(12)19-16/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyOHCQEALNNJUIQA-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.63
Rot. Bonds4

About 7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine

7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine (PubChem CID 112674490) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine.

Molecular Properties

Compound Name7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine
PubChem CID112674490
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine
SMILESCCCNc1nc2cc(F)c(C)cc2cc1C(C)C
InChIInChI=1S/C16H21FN2/c1-5-6-18-16-13(10(2)3)8-12-7-11(4)14(17)9-15(12)19-16/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyOHCQEALNNJUIQA-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine
CID 103997014
7-chloro-N-ethyl-6-methyl-3-propan-2-ylquinolin-2-amine
CID 104722127
8-fluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524722
5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524202
6-ethoxy-3-propan-2-yl-N-propylquinolin-2-amine
CID 63529698
5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine
CID 63232523
6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine
CID 103996998
6-butan-2-yl-3-methyl-N-propylquinolin-2-amine
CID 63526288
6-fluoro-3,8-dimethyl-N-propylquinolin-2-amine
CID 63232719
N-ethyl-3,6-di(propan-2-yl)quinolin-2-amine
CID 63525945
8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine
CID 63479615
N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine
CID 63231864

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine?
The IUPAC name of 7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine (CID 112674490) is 7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine.
What is the SMILES notation for 7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine?
The canonical SMILES for 7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine is CCCNc1nc2cc(F)c(C)cc2cc1C(C)C.
What is the InChIKey of 7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine?
The InChIKey is OHCQEALNNJUIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-5-6-18-16-13(10(2)3)8-12-7-11(4)14(17)9-15(12)19-16/h7-10H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine?
7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine has a molecular weight of 260.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine is sourced from PubChem (CID 112674490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).