7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine

C14H17FN2O — CID 113363415

IUPAC7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCOc1cc2c(N)c(C(C)C)c(C)nc2cc1F
InChIInChI=1S/C14H17FN2O/c1-7(2)13-8(3)17-11-6-10(15)12(18-4)5-9(11)14(13)16/h5-7H,1-4H3,(H2,16,17)
InChIKeyKFEIDNPWJVRENM-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.40
Rot. Bonds2

About 7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine

7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine (PubChem CID 113363415) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
PubChem CID113363415
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCOc1cc2c(N)c(C(C)C)c(C)nc2cc1F
InChIInChI=1S/C14H17FN2O/c1-7(2)13-8(3)17-11-6-10(15)12(18-4)5-9(11)14(13)16/h5-7H,1-4H3,(H2,16,17)
InChIKeyKFEIDNPWJVRENM-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine
CID 103996775
4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
CID 103996653
6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
CID 62915309
4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 62913699
8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 62915674
6-ethoxy-3-ethyl-7-fluoro-2-methylquinolin-4-amine
CID 113399809
8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
CID 62914764
2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
CID 113363417
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
CID 103996194
2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline
CID 87401887
4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline
CID 170432061

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine?
The IUPAC name of 7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine (CID 113363415) is 7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine?
The canonical SMILES for 7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine is COc1cc2c(N)c(C(C)C)c(C)nc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine?
The InChIKey is KFEIDNPWJVRENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-7(2)13-8(3)17-11-6-10(15)12(18-4)5-9(11)14(13)16/h5-7H,1-4H3,(H2,16,17).
What are the key properties of 7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine?
7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine has a molecular weight of 248.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 113363415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).