N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

C21H19N3O2 — CID 135684696

IUPACN-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc2[nH]c(=O)c(/C=N/NC(=O)C3CC3c3ccccc3)cc2c1
InChIInChI=1S/C21H19N3O2/c1-13-7-8-19-15(9-13)10-16(20(25)23-19)12-22-24-21(26)18-11-17(18)14-5-3-2-4-6-14/h2-10,12,17-18H,11H2,1H3,(H,23,25)(H,24,26)/b22-12+
InChIKeyVBIGQCUXTVONPO-WSDLNYQXSA-N
MW345.40 g/mol
LogP3.09
Rot. Bonds4

About N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 135684696) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID135684696
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc2[nH]c(=O)c(/C=N/NC(=O)C3CC3c3ccccc3)cc2c1
InChIInChI=1S/C21H19N3O2/c1-13-7-8-19-15(9-13)10-16(20(25)23-19)12-22-24-21(26)18-11-17(18)14-5-3-2-4-6-14/h2-10,12,17-18H,11H2,1H3,(H,23,25)(H,24,26)/b22-12+
InChIKeyVBIGQCUXTVONPO-WSDLNYQXSA-N
XLogP3.09
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea
CID 141311097
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 137085097
N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 136800738
4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 5169627
N-(naphthalen-1-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 4154007
trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135733485
N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6736120
cis-(1R,2S)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40528188
trans-(1R,2R)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135688132
N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2832952
trans-(1R,2R)-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 137264733
2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide
CID 3594985

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 135684696) is N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is Cc1ccc2[nH]c(=O)c(/C=N/NC(=O)C3CC3c3ccccc3)cc2c1.
What is the InChIKey of N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is VBIGQCUXTVONPO-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13-7-8-19-15(9-13)10-16(20(25)23-19)12-22-24-21(26)18-11-17(18)14-5-3-2-4-6-14/h2-10,12,17-18H,11H2,1H3,(H,23,25)(H,24,26)/b22-12+.
What are the key properties of N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 135684696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).