2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride

C18H18ClNO — CID 42918992

IUPAC2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride
SMILESCOc1ccc(-c2nc3ccccc3c(C)c2C)cc1.Cl
InChIInChI=1S/C18H17NO.ClH/c1-12-13(2)18(14-8-10-15(20-3)11-9-14)19-17-7-5-4-6-16(12)17;/h4-11H,1-3H3;1H
InChIKeyDNTUTLUBPACWKO-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.95
Rot. Bonds2

About 2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride

2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride (PubChem CID 42918992) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride
PubChem CID42918992
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride
SMILESCOc1ccc(-c2nc3ccccc3c(C)c2C)cc1.Cl
InChIInChI=1S/C18H17NO.ClH/c1-12-13(2)18(14-8-10-15(20-3)11-9-14)19-17-7-5-4-6-16(12)17;/h4-11H,1-3H3;1H
InChIKeyDNTUTLUBPACWKO-UHFFFAOYSA-N
XLogP4.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline
CID 175418792
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
2-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
2-(4-methoxyphenyl)-3,4-dimethyl-[1]benzothiolo[2,3-b]pyridine
CID 141039356
N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3348119
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
CID 59081570
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3681950

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride (CID 42918992) is 2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride is COc1ccc(-c2nc3ccccc3c(C)c2C)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride?
The InChIKey is DNTUTLUBPACWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO.ClH/c1-12-13(2)18(14-8-10-15(20-3)11-9-14)19-17-7-5-4-6-16(12)17;/h4-11H,1-3H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride?
2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride is sourced from PubChem (CID 42918992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).