N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine

C22H23FN2 — CID 53475020

IUPACN-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine
SMILESCc1ccc(-c2cc3ccc(F)cc3c(NC3CCCCC3)n2)cc1
InChIInChI=1S/C22H23FN2/c1-15-7-9-16(10-8-15)21-13-17-11-12-18(23)14-20(17)22(25-21)24-19-5-3-2-4-6-19/h7-14,19H,2-6H2,1H3,(H,24,25)
InChIKeyPUFGUTNLJXCMGY-UHFFFAOYSA-N
MW334.44 g/mol
LogP6.09
Rot. Bonds3

About N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine

N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine (PubChem CID 53475020) has the molecular formula C22H23FN2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine
PubChem CID53475020
Molecular FormulaC22H23FN2
Molecular Weight334.44 g/mol
Exact Mass334.18
IUPAC NameN-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine
SMILESCc1ccc(-c2cc3ccc(F)cc3c(NC3CCCCC3)n2)cc1
InChIInChI=1S/C22H23FN2/c1-15-7-9-16(10-8-15)21-13-17-11-12-18(23)14-20(17)22(25-21)24-19-5-3-2-4-6-19/h7-14,19H,2-6H2,1H3,(H,24,25)
InChIKeyPUFGUTNLJXCMGY-UHFFFAOYSA-N
XLogP6.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
Revaprazan
CID 204104
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
Revaprazan Hydrochloride
CID 204103
4-((Diphenylmethyl)amino)-2-phenylquinazoline
CID 9930153
7-[[2-(3-Fluorophenyl)ethylamino]methyl]quinolin-2-Amine
CID 72771077
7-{2-[(3-Fluorobenzyl)amino]ethyl}quinolin-2-Amine
CID 72771078
7-[2-[3-(3-Fluorophenyl)propylamino]ethyl]quinolin-2-Amine
CID 72771079
7-({[3-(3-Fluorophenyl)propyl]amino}methyl)quinolin-2-Amine
CID 72771080
7-[2-[2-(3-Fluorophenyl)ethylamino]ethyl]quinolin-2-Amine
CID 72771082

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine?
The IUPAC name of N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine (CID 53475020) is N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine.
What is the SMILES notation for N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine?
The canonical SMILES for N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine is Cc1ccc(-c2cc3ccc(F)cc3c(NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine?
The InChIKey is PUFGUTNLJXCMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2/c1-15-7-9-16(10-8-15)21-13-17-11-12-18(23)14-20(17)22(25-21)24-19-5-3-2-4-6-19/h7-14,19H,2-6H2,1H3,(H,24,25).
What are the key properties of N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine?
N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine has a molecular weight of 334.44 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-fluoro-3-(4-methylphenyl)isoquinolin-1-amine is sourced from PubChem (CID 53475020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).