2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline

C21H22N2O2 — CID 54599355

IUPAC2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
SMILESCOc1cc(N(C)C)c(OC)cc1/C=C\c1ccnc2ccccc12
InChIInChI=1S/C21H22N2O2/c1-23(2)19-14-20(24-3)16(13-21(19)25-4)10-9-15-11-12-22-18-8-6-5-7-17(15)18/h5-14H,1-4H3/b10-9-
InChIKeyWNRMQAWGIWTTME-KTKRTIGZSA-N
MW334.42 g/mol
LogP4.49
Rot. Bonds5

About 2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline

2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline (PubChem CID 54599355) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline.

Molecular Properties

Compound Name2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
PubChem CID54599355
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
SMILESCOc1cc(N(C)C)c(OC)cc1/C=C\c1ccnc2ccccc12
InChIInChI=1S/C21H22N2O2/c1-23(2)19-14-20(24-3)16(13-21(19)25-4)10-9-15-11-12-22-18-8-6-5-7-17(15)18/h5-14H,1-4H3/b10-9-
InChIKeyWNRMQAWGIWTTME-KTKRTIGZSA-N
XLogP4.49
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
The IUPAC name of 2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline (CID 54599355) is 2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline.
What is the SMILES notation for 2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
The canonical SMILES for 2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline is COc1cc(N(C)C)c(OC)cc1/C=C\c1ccnc2ccccc12.
What is the InChIKey of 2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
The InChIKey is WNRMQAWGIWTTME-KTKRTIGZSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-23(2)19-14-20(24-3)16(13-21(19)25-4)10-9-15-11-12-22-18-8-6-5-7-17(15)18/h5-14H,1-4H3/b10-9-.
What are the key properties of 2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline has a molecular weight of 334.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline is sourced from PubChem (CID 54599355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).