N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline

C22H23N3O — CID 6373794

IUPACN-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline
SMILESCOc1ccc(-n2c(C)cc3c2CCC/C3=N/Nc2ccccc2)cc1
InChIInChI=1S/C22H23N3O/c1-16-15-20-21(24-23-17-7-4-3-5-8-17)9-6-10-22(20)25(16)18-11-13-19(26-2)14-12-18/h3-5,7-8,11-15,23H,6,9-10H2,1-2H3/b24-21-
InChIKeyHFLHYERRPUGZFY-FLFQWRMESA-N
MW345.45 g/mol
LogP4.95
Rot. Bonds4

About N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline

N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline (PubChem CID 6373794) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline
PubChem CID6373794
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline
SMILESCOc1ccc(-n2c(C)cc3c2CCC/C3=N/Nc2ccccc2)cc1
InChIInChI=1S/C22H23N3O/c1-16-15-20-21(24-23-17-7-4-3-5-8-17)9-6-10-22(20)25(16)18-11-13-19(26-2)14-12-18/h3-5,7-8,11-15,23H,6,9-10H2,1-2H3/b24-21-
InChIKeyHFLHYERRPUGZFY-FLFQWRMESA-N
XLogP4.95
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline
CID 6076381
4-N,6-N-bis[(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-N-phenylpyrimidine-2,4,6-triamine
CID 139976197
(2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one
CID 6454381
2-N,4-N-bis[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976385
4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
CID 154862519
2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
CID 60723547
N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 23876755
1-(4-methoxyphenyl)-3-methyl-6,7-diphenyl-4-(phenylhydrazinylidene)pteridin-2-one
CID 172970408
(2Z)-2-(phenylhydrazinylidene)cycloheptan-1-one
CID 152776828
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CID 6457804
N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
CID 7730775
N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline?
The IUPAC name of N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline (CID 6373794) is N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline is COc1ccc(-n2c(C)cc3c2CCC/C3=N/Nc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline?
The InChIKey is HFLHYERRPUGZFY-FLFQWRMESA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-15-20-21(24-23-17-7-4-3-5-8-17)9-6-10-22(20)25(16)18-11-13-19(26-2)14-12-18/h3-5,7-8,11-15,23H,6,9-10H2,1-2H3/b24-21-.
What are the key properties of N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline?
N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline has a molecular weight of 345.45 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline is sourced from PubChem (CID 6373794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).