1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine

C22H24N2O2 — CID 175237300

IUPAC1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine
SMILES[H]/N=C(\CCC)c1cc(C)nc2cc(-c3ccc(OC)cc3OC)ccc12
InChIInChI=1S/C22H24N2O2/c1-5-6-20(23)19-11-14(2)24-21-12-15(7-9-18(19)21)17-10-8-16(25-3)13-22(17)26-4/h7-13,23H,5-6H2,1-4H3/b23-20+
InChIKeyRTFKAZDGTHTYGJ-BSYVCWPDSA-N
MW348.45 g/mol
LogP5.40
Rot. Bonds6

About 1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine

1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine (PubChem CID 175237300) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine.

Molecular Properties

Compound Name1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine
PubChem CID175237300
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine
SMILES[H]/N=C(\CCC)c1cc(C)nc2cc(-c3ccc(OC)cc3OC)ccc12
InChIInChI=1S/C22H24N2O2/c1-5-6-20(23)19-11-14(2)24-21-12-15(7-9-18(19)21)17-10-8-16(25-3)13-22(17)26-4/h7-13,23H,5-6H2,1-4H3/b23-20+
InChIKeyRTFKAZDGTHTYGJ-BSYVCWPDSA-N
XLogP5.40
TPSA55.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine
CID 174457090
2,4-bis[4-(4-butanimidoyl-2-methylquinolin-7-yl)phenyl]pentan-3-one
CID 174423397
7-methoxy-2-methylquinoline-4-carboximidamide
CID 82573492
N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide
CID 174552364
N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide
CID 125165062
N-(2-aminoethyl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 119061251
ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride
CID 22721088
N,N-diethyl-7-methoxy-2-methylquinolin-4-amine
CID 71151890
4-bromo-7-methoxy-2-methylquinoline
CID 11550580
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate
CID 177204841
methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate
CID 82578206

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine?
The IUPAC name of 1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine (CID 175237300) is 1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine.
What is the SMILES notation for 1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine?
The canonical SMILES for 1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine is [H]/N=C(\CCC)c1cc(C)nc2cc(-c3ccc(OC)cc3OC)ccc12.
What is the InChIKey of 1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine?
The InChIKey is RTFKAZDGTHTYGJ-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-5-6-20(23)19-11-14(2)24-21-12-15(7-9-18(19)21)17-10-8-16(25-3)13-22(17)26-4/h7-13,23H,5-6H2,1-4H3/b23-20+.
What are the key properties of 1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine?
1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine has a molecular weight of 348.45 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine is sourced from PubChem (CID 175237300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).