2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide

C21H19N3O — CID 92898718

IUPAC2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide
SMILESCC(/C=C\c1ccccc1)=N/NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C21H19N3O/c1-15(12-13-17-8-4-3-5-9-17)23-24-21(25)19-14-16(2)22-20-11-7-6-10-18(19)20/h3-14H,1-2H3,(H,24,25)/b13-12-,23-15-
InChIKeyAZCVJMCIKSIGAM-GEJVTCPSSA-N
MW329.40 g/mol
LogP4.36
Rot. Bonds4

About 2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide

2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide (PubChem CID 92898718) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide
PubChem CID92898718
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide
SMILESCC(/C=C\c1ccccc1)=N/NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C21H19N3O/c1-15(12-13-17-8-4-3-5-9-17)23-24-21(25)19-14-16(2)22-20-11-7-6-10-18(19)20/h3-14H,1-2H3,(H,24,25)/b13-12-,23-15-
InChIKeyAZCVJMCIKSIGAM-GEJVTCPSSA-N
XLogP4.36
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
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

2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide
CID 6534705
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 43012024
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 1124742
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide
CID 6142695
4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 7348333
N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide
CID 1004672
4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6948702
4-bromo-N-(4-phenylbut-3-en-2-ylideneamino)benzamide
CID 834129
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 6241165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide (CID 92898718) is 2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide is CC(/C=C\c1ccccc1)=N/NC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of 2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide?
The InChIKey is AZCVJMCIKSIGAM-GEJVTCPSSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15(12-13-17-8-4-3-5-9-17)23-24-21(25)19-14-16(2)22-20-11-7-6-10-18(19)20/h3-14H,1-2H3,(H,24,25)/b13-12-,23-15-.
What are the key properties of 2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide?
2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide is sourced from PubChem (CID 92898718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).