4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline

C21H22FNO — CID 130443606

IUPAC4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline
SMILESCCCc1cc2nccc(Cc3ccc(C)cc3F)c2cc1OC
InChIInChI=1S/C21H22FNO/c1-4-5-17-12-20-18(13-21(17)24-3)15(8-9-23-20)11-16-7-6-14(2)10-19(16)22/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeySLIVIMPNXNMYGA-UHFFFAOYSA-N
MW323.41 g/mol
LogP5.23
Rot. Bonds5

About 4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline

4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline (PubChem CID 130443606) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is 4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline.

Molecular Properties

Compound Name4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline
PubChem CID130443606
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC Name4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline
SMILESCCCc1cc2nccc(Cc3ccc(C)cc3F)c2cc1OC
InChIInChI=1S/C21H22FNO/c1-4-5-17-12-20-18(13-21(17)24-3)15(8-9-23-20)11-16-7-6-14(2)10-19(16)22/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeySLIVIMPNXNMYGA-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(6,7-dimethoxyquinolin-4-yl)methyl]-3-methylanilino] formate;1-methyl-3-phenylbenzene
CID 143878356
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
N-[4-[(6,7-dimethoxyquinolin-4-yl)methyl]-2,3-dimethylphenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 142073434
3-methoxy-N-methyl-4-propylbenzamide
CID 155440057
2-bromo-4-[[5-(2-fluoro-4-methylphenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxypyridine
CID 174161709
4-benzyl-1-[4-[(7-methoxy-6-propylquinolin-4-yl)methyl]phenyl]-1,3-diazinan-2-one
CID 130443771
ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene
CID 168958922
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
5-methyl-2-(quinolin-4-ylmethyl)aniline
CID 82766689
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
methane;4,6,7-trimethoxyquinoline
CID 157066291

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline?
The IUPAC name of 4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline (CID 130443606) is 4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline.
What is the SMILES notation for 4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline?
The canonical SMILES for 4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline is CCCc1cc2nccc(Cc3ccc(C)cc3F)c2cc1OC.
What is the InChIKey of 4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline?
The InChIKey is SLIVIMPNXNMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO/c1-4-5-17-12-20-18(13-21(17)24-3)15(8-9-23-20)11-16-7-6-14(2)10-19(16)22/h6-10,12-13H,4-5,11H2,1-3H3.
What are the key properties of 4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline?
4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline has a molecular weight of 323.41 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline is sourced from PubChem (CID 130443606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).