N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine

C18H20N2O2 — CID 174927015

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine
SMILESCOc1ccc(C/N=C2\CCc3ccccc3N2)c(OC)c1
InChIInChI=1S/C18H20N2O2/c1-21-15-9-7-14(17(11-15)22-2)12-19-18-10-8-13-5-3-4-6-16(13)20-18/h3-7,9,11H,8,10,12H2,1-2H3,(H,19,20)
InChIKeyPBWCRCZYOFPBAX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.66
Rot. Bonds4

About N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine

N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine (PubChem CID 174927015) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine
PubChem CID174927015
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine
SMILESCOc1ccc(C/N=C2\CCc3ccccc3N2)c(OC)c1
InChIInChI=1S/C18H20N2O2/c1-21-15-9-7-14(17(11-15)22-2)12-19-18-10-8-13-5-3-4-6-16(13)20-18/h3-7,9,11H,8,10,12H2,1-2H3,(H,19,20)
InChIKeyPBWCRCZYOFPBAX-UHFFFAOYSA-N
XLogP3.66
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine
CID 135401643
2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone
CID 135569930
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595
8-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-1-benzazepin-5-imine
CID 172859203
4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine
CID 71423908
2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 155435073
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
N-[(2,4-dimethoxyphenyl)methyl]-5-ethylazepan-3-imine
CID 144840831
3-[4-[(2,4-dimethoxyphenyl)methylimino]-2-methyl-1,3-thiazinan-2-yl]-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 136503499
3,4-dihydro-1H-quinoline-2-thione
CID 3037435
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine (CID 174927015) is N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine is COc1ccc(C/N=C2\CCc3ccccc3N2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine?
The InChIKey is PBWCRCZYOFPBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-21-15-9-7-14(17(11-15)22-2)12-19-18-10-8-13-5-3-4-6-16(13)20-18/h3-7,9,11H,8,10,12H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine?
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine has a molecular weight of 296.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine is sourced from PubChem (CID 174927015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).