N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline

C18H17N3 — CID 53315578

IUPACN,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline
SMILESCN(C)c1ccc(/N=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C18H17N3/c1-21(2)16-9-7-15(8-10-16)20-13-14-11-12-19-18-6-4-3-5-17(14)18/h3-13H,1-2H3/b20-13+
InChIKeySEVZKLHYHFVPPR-DEDYPNTBSA-N
MW275.36 g/mol
LogP4.05
Rot. Bonds3

About N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline

N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline (PubChem CID 53315578) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline
PubChem CID53315578
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline
SMILESCN(C)c1ccc(/N=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C18H17N3/c1-21(2)16-9-7-15(8-10-16)20-13-14-11-12-19-18-6-4-3-5-17(14)18/h3-13H,1-2H3/b20-13+
InChIKeySEVZKLHYHFVPPR-DEDYPNTBSA-N
XLogP4.05
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline?
The IUPAC name of N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline (CID 53315578) is N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline.
What is the SMILES notation for N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline?
The canonical SMILES for N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline is CN(C)c1ccc(/N=C/c2ccnc3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline?
The InChIKey is SEVZKLHYHFVPPR-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H17N3/c1-21(2)16-9-7-15(8-10-16)20-13-14-11-12-19-18-6-4-3-5-17(14)18/h3-13H,1-2H3/b20-13+.
What are the key properties of N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline?
N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline has a molecular weight of 275.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline is sourced from PubChem (CID 53315578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).