2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide

C23H26N4O2 — CID 9258036

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
SMILESCc1cc(/C=N\NC(=O)CN2CCCc3ccccc32)c(C)n1Cc1ccco1
InChIInChI=1S/C23H26N4O2/c1-17-13-20(18(2)27(17)15-21-9-6-12-29-21)14-24-25-23(28)16-26-11-5-8-19-7-3-4-10-22(19)26/h3-4,6-7,9-10,12-14H,5,8,11,15-16H2,1-2H3,(H,25,28)/b24-14-
InChIKeyJUGXNOTZFIJARL-OYKKKHCWSA-N
MW390.49 g/mol
LogP3.65
Rot. Bonds6

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide (PubChem CID 9258036) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
PubChem CID9258036
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
SMILESCc1cc(/C=N\NC(=O)CN2CCCc3ccccc32)c(C)n1Cc1ccco1
InChIInChI=1S/C23H26N4O2/c1-17-13-20(18(2)27(17)15-21-9-6-12-29-21)14-24-25-23(28)16-26-11-5-8-19-7-3-4-10-22(19)26/h3-4,6-7,9-10,12-14H,5,8,11,15-16H2,1-2H3,(H,25,28)/b24-14-
InChIKeyJUGXNOTZFIJARL-OYKKKHCWSA-N
XLogP3.65
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide
CID 9148353
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 16561600
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 9235662
2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 9258441
N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026741
4-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9258347
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
CID 9258499
N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline
CID 9059330
1-(3,4-dimethoxyphenyl)-3-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea
CID 9216259
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
1-(furan-2-ylmethyl)-2,3-dihydroindole
CID 14884168

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide (CID 9258036) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide is Cc1cc(/C=N\NC(=O)CN2CCCc3ccccc32)c(C)n1Cc1ccco1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide?
The InChIKey is JUGXNOTZFIJARL-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-13-20(18(2)27(17)15-21-9-6-12-29-21)14-24-25-23(28)16-26-11-5-8-19-7-3-4-10-22(19)26/h3-4,6-7,9-10,12-14H,5,8,11,15-16H2,1-2H3,(H,25,28)/b24-14-.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 9258036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).