1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine

C23H26N2O3 — CID 174457090

IUPAC1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine
SMILES[H]/N=C(\CCC)c1cc(C)nc2cc(OCc3cc(OC)cc(OC)c3)ccc12
InChIInChI=1S/C23H26N2O3/c1-5-6-22(24)21-9-15(2)25-23-13-17(7-8-20(21)23)28-14-16-10-18(26-3)12-19(11-16)27-4/h7-13,24H,5-6,14H2,1-4H3/b24-22+
InChIKeyFXBGPARNLSEYRB-ZNTNEXAZSA-N
MW378.47 g/mol
LogP5.31
Rot. Bonds8

About 1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine

1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine (PubChem CID 174457090) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine.

Molecular Properties

Compound Name1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine
PubChem CID174457090
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine
SMILES[H]/N=C(\CCC)c1cc(C)nc2cc(OCc3cc(OC)cc(OC)c3)ccc12
InChIInChI=1S/C23H26N2O3/c1-5-6-22(24)21-9-15(2)25-23-13-17(7-8-20(21)23)28-14-16-10-18(26-3)12-19(11-16)27-4/h7-13,24H,5-6,14H2,1-4H3/b24-22+
InChIKeyFXBGPARNLSEYRB-ZNTNEXAZSA-N
XLogP5.31
TPSA64.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[7-(2,4-dimethoxyphenyl)-2-methylquinolin-4-yl]butan-1-imine
CID 175237300
7-methoxy-2-methylquinoline-4-carboximidamide
CID 82573492
7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
CID 22641311
4-[2-(4-butanimidoyl-2-methylquinolin-7-yl)ethyl]benzoic acid
CID 174417436
N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide
CID 174552364
2,4-bis[4-(4-butanimidoyl-2-methylquinolin-7-yl)phenyl]pentan-3-one
CID 174423397
5-[[4-[(2S)-2-(hydroxymethyl)butanimidoyl]-2-methylquinolin-7-yl]oxymethyl]pyridine-2-carbonitrile
CID 174457057
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline
CID 134830670
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720
N-(2-aminoethyl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 119061251
N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine
CID 22417905

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine?
The IUPAC name of 1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine (CID 174457090) is 1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine.
What is the SMILES notation for 1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine?
The canonical SMILES for 1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine is [H]/N=C(\CCC)c1cc(C)nc2cc(OCc3cc(OC)cc(OC)c3)ccc12.
What is the InChIKey of 1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine?
The InChIKey is FXBGPARNLSEYRB-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-6-22(24)21-9-15(2)25-23-13-17(7-8-20(21)23)28-14-16-10-18(26-3)12-19(11-16)27-4/h7-13,24H,5-6,14H2,1-4H3/b24-22+.
What are the key properties of 1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine?
1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine has a molecular weight of 378.47 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(3,5-dimethoxyphenyl)methoxy]-2-methylquinolin-4-yl]butan-1-imine is sourced from PubChem (CID 174457090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).