1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine

C21H24ClFN2 — CID 50859247

IUPAC1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
SMILESCc1cc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)CC3C)ccc1F
InChIInChI=1S/C21H24ClFN2/c1-13-8-16(6-7-19(13)23)24-12-15-9-17-14(2)11-21(3,4)25(5)20(17)10-18(15)22/h6-10,12,14H,11H2,1-5H3/b24-12+
InChIKeyMKVQXQNPLXPGHC-WYMPLXKRSA-N
MW358.89 g/mol
LogP6.26
Rot. Bonds2

About 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine

1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine (PubChem CID 50859247) has the molecular formula C21H24ClFN2 and a molecular weight of 358.89 g/mol. Its IUPAC name is 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
PubChem CID50859247
Molecular FormulaC21H24ClFN2
Molecular Weight358.89 g/mol
Exact Mass358.16
IUPAC Name1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
SMILESCc1cc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)CC3C)ccc1F
InChIInChI=1S/C21H24ClFN2/c1-13-8-16(6-7-19(13)23)24-12-15-9-17-14(2)11-21(3,4)25(5)20(17)10-18(15)22/h6-10,12,14H,11H2,1-5H3/b24-12+
InChIKeyMKVQXQNPLXPGHC-WYMPLXKRSA-N
XLogP6.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.89
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-[1-(4-chlorophenyl)ethyl]-6-fluoro-1-methyl-2H-quinazoline
CID 149905468
N-(3-chloro-2-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 3453339
N-(5-chloro-2-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 3880155
N-(3-chloro-4-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 5139211
4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline
CID 10268438
1-(2-Chloro-6-fluorobenzyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 22194542
1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 22194544
7-Chloro-3-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 24267067
7-Chloro-3-[(4-fluorophenyl)methyl]-6-methyl-1,2,3,4-tetrahydroquinoline
CID 24267252
N-(2,4-difluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50857870
N-(3-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858165
N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858519

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The IUPAC name of 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine (CID 50859247) is 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The canonical SMILES for 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine is Cc1cc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)CC3C)ccc1F.
What is the InChIKey of 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The InChIKey is MKVQXQNPLXPGHC-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H24ClFN2/c1-13-8-16(6-7-19(13)23)24-12-15-9-17-14(2)11-21(3,4)25(5)20(17)10-18(15)22/h6-10,12,14H,11H2,1-5H3/b24-12+.
What are the key properties of 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine has a molecular weight of 358.89 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine is sourced from PubChem (CID 50859247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).