N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline

C21H27N3O — CID 50859908

IUPACN-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
SMILESCOc1cc2c(cc1/C=N\Nc1ccccc1)C(C)CC(C)(C)N2C
InChIInChI=1S/C21H27N3O/c1-15-13-21(2,3)24(4)19-12-20(25-5)16(11-18(15)19)14-22-23-17-9-7-6-8-10-17/h6-12,14-15,23H,13H2,1-5H3/b22-14-
InChIKeyCUZLXXAQFQYFJQ-HMAPJEAMSA-N
MW337.47 g/mol
LogP4.86
Rot. Bonds4

About N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline

N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline (PubChem CID 50859908) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
PubChem CID50859908
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
SMILESCOc1cc2c(cc1/C=N\Nc1ccccc1)C(C)CC(C)(C)N2C
InChIInChI=1S/C21H27N3O/c1-15-13-21(2,3)24(4)19-12-20(25-5)16(11-18(15)19)14-22-23-17-9-7-6-8-10-17/h6-12,14-15,23H,13H2,1-5H3/b22-14-
InChIKeyCUZLXXAQFQYFJQ-HMAPJEAMSA-N
XLogP4.86
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.86
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline?
The IUPAC name of N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline (CID 50859908) is N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline.
What is the SMILES notation for N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline?
The canonical SMILES for N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline is COc1cc2c(cc1/C=N\Nc1ccccc1)C(C)CC(C)(C)N2C.
What is the InChIKey of N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline?
The InChIKey is CUZLXXAQFQYFJQ-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15-13-21(2,3)24(4)19-12-20(25-5)16(11-18(15)19)14-22-23-17-9-7-6-8-10-17/h6-12,14-15,23H,13H2,1-5H3/b22-14-.
What are the key properties of N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline?
N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline has a molecular weight of 337.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline is sourced from PubChem (CID 50859908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).