3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide

C22H20N4O — CID 87213798

IUPAC3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide
SMILESCc1cn(CCC(=O)N/N=C\c2ccc3ncccc3c2)c2ccccc12
InChIInChI=1S/C22H20N4O/c1-16-15-26(21-7-3-2-6-19(16)21)12-10-22(27)25-24-14-17-8-9-20-18(13-17)5-4-11-23-20/h2-9,11,13-15H,10,12H2,1H3,(H,25,27)/b24-14-
InChIKeyUBHLOQQJSLDWJB-OYKKKHCWSA-N
MW356.43 g/mol
LogP4.04
Rot. Bonds5

About 3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide

3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide (PubChem CID 87213798) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide
PubChem CID87213798
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide
SMILESCc1cn(CCC(=O)N/N=C\c2ccc3ncccc3c2)c2ccccc12
InChIInChI=1S/C22H20N4O/c1-16-15-26(21-7-3-2-6-19(16)21)12-10-22(27)25-24-14-17-8-9-20-18(13-17)5-4-11-23-20/h2-9,11,13-15H,10,12H2,1H3,(H,25,27)/b24-14-
InChIKeyUBHLOQQJSLDWJB-OYKKKHCWSA-N
XLogP4.04
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.04
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

3-(3,4-dimethylindol-1-yl)-N-[[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]propanamide
CID 66954855
3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 5144752
[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
CID 44664247
N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
CID 2250679
1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea
CID 2424034
N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3673852
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 2754894
3-carbazol-9-yl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135470781
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 135613980
N-(2,5-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 3297103
2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 18227477
3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
CID 5418862

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide?
The IUPAC name of 3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide (CID 87213798) is 3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide?
The canonical SMILES for 3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide is Cc1cn(CCC(=O)N/N=C\c2ccc3ncccc3c2)c2ccccc12.
What is the InChIKey of 3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide?
The InChIKey is UBHLOQQJSLDWJB-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-15-26(21-7-3-2-6-19(16)21)12-10-22(27)25-24-14-17-8-9-20-18(13-17)5-4-11-23-20/h2-9,11,13-15H,10,12H2,1H3,(H,25,27)/b24-14-.
What are the key properties of 3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide?
3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide has a molecular weight of 356.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylindol-1-yl)-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide is sourced from PubChem (CID 87213798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).