N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide

C22H27N3O3 — CID 633330

IUPACN-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide
SMILESCOc1cc2c(c(NC(=O)CCC(=O)NCc3ccccc3)c1)N(C)CCC2
InChIInChI=1S/C22H27N3O3/c1-25-12-6-9-17-13-18(28-2)14-19(22(17)25)24-21(27)11-10-20(26)23-15-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUYKTZNHZJJHPOD-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.11
Rot. Bonds7

About N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide

N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide (PubChem CID 633330) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide
PubChem CID633330
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide
SMILESCOc1cc2c(c(NC(=O)CCC(=O)NCc3ccccc3)c1)N(C)CCC2
InChIInChI=1S/C22H27N3O3/c1-25-12-6-9-17-13-18(28-2)14-19(22(17)25)24-21(27)11-10-20(26)23-15-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUYKTZNHZJJHPOD-UHFFFAOYSA-N
XLogP3.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4905131
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide
CID 3274754
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide
CID 110342823
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110343053
4-[2-(benzylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 30940293
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide?
The IUPAC name of N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide (CID 633330) is N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide.
What is the SMILES notation for N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide?
The canonical SMILES for N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide is COc1cc2c(c(NC(=O)CCC(=O)NCc3ccccc3)c1)N(C)CCC2.
What is the InChIKey of N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide?
The InChIKey is UYKTZNHZJJHPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-25-12-6-9-17-13-18(28-2)14-19(22(17)25)24-21(27)11-10-20(26)23-15-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide?
N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide has a molecular weight of 381.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)butanediamide is sourced from PubChem (CID 633330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).