2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide

C20H19N3OS — CID 5412205

IUPAC2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(C)s1
InChIInChI=1S/C20H19N3OS/c1-12-7-10-19(25-12)13(2)22-23-20(24)16-11-18(14-8-9-14)21-17-6-4-3-5-15(16)17/h3-7,10-11,14H,8-9H2,1-2H3,(H,23,24)/b22-13-
InChIKeyBJSGRMIGVJFGSS-XKZIYDEJSA-N
MW349.46 g/mol
LogP4.64
Rot. Bonds4

About 2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide

2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide (PubChem CID 5412205) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
PubChem CID5412205
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(C)s1
InChIInChI=1S/C20H19N3OS/c1-12-7-10-19(25-12)13(2)22-23-20(24)16-11-18(14-8-9-14)21-17-6-4-3-5-15(16)17/h3-7,10-11,14H,8-9H2,1-2H3,(H,23,24)/b22-13-
InChIKeyBJSGRMIGVJFGSS-XKZIYDEJSA-N
XLogP4.64
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[1-(5-bromothiophen-2-yl)ethylideneamino]-2-cyclopropylquinoline-4-carboxamide
CID 3317994
2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 1226462
6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6040283
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 4671456
2-(4-tert-butylphenyl)-N-[1-(5-chlorothiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
CID 4205609
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119456987
2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 45108999
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide (CID 5412205) is 2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide is C/C(=N/NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(C)s1.
What is the InChIKey of 2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide?
The InChIKey is BJSGRMIGVJFGSS-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-12-7-10-19(25-12)13(2)22-23-20(24)16-11-18(14-8-9-14)21-17-6-4-3-5-15(16)17/h3-7,10-11,14H,8-9H2,1-2H3,(H,23,24)/b22-13-.
What are the key properties of 2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide?
2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 5412205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).