4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline

C24H24N3+ — CID 6295789

IUPAC4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCc1ccc2cc3c(ccc(/C=C/c4ccc(N(C)C)cc4)[n+]3C)cc2n1
InChIInChI=1S/C24H24N3/c1-17-5-9-19-16-24-20(15-23(19)25-17)10-14-22(27(24)4)13-8-18-6-11-21(12-7-18)26(2)3/h5-16H,1-4H3/q+1
InChIKeyRMAVAQVXXKVLKP-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.76
Rot. Bonds3

About 4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 6295789) has the molecular formula C24H24N3+ and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID6295789
Molecular FormulaC24H24N3+
Molecular Weight354.48 g/mol
Exact Mass354.20
IUPAC Name4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCc1ccc2cc3c(ccc(/C=C/c4ccc(N(C)C)cc4)[n+]3C)cc2n1
InChIInChI=1S/C24H24N3/c1-17-5-9-19-16-24-20(15-23(19)25-17)10-14-22(27(24)4)13-8-18-6-11-21(12-7-18)26(2)3/h5-16H,1-4H3/q+1
InChIKeyRMAVAQVXXKVLKP-UHFFFAOYSA-N
XLogP4.76
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(4,8-dimethyl-4,7-phenanthrolin-4-ium-3-yl)ethenyl]-N,N-dimethylaniline iodide
CID 18527614
4-[2-(6-methoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 74830862
4-[2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 4088723
2-[(E)-2-[4-[1-[4-[(E)-2-[6-(dimethylamino)-1-methylquinolin-1-ium-2-yl]ethenyl]phenyl]-2,2-diphenylethenyl]phenyl]ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine
CID 175926944
N,N-dimethyl-4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]aniline;4-methylbenzenesulfonate
CID 75086790
4-[2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N-(4-ethoxyphenyl)-N-methylaniline
CID 5064077
4-[(E)-2-(1,5-dimethylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide
CID 24761597
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-6-yl)ethenyl]aniline
CID 122228564
4-[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline
CID 5111246
N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-3-yl)ethenyl]aniline
CID 122228565
N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline
CID 40700748

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline (CID 6295789) is 4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline is Cc1ccc2cc3c(ccc(/C=C/c4ccc(N(C)C)cc4)[n+]3C)cc2n1.
What is the InChIKey of 4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is RMAVAQVXXKVLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N3/c1-17-5-9-19-16-24-20(15-23(19)25-17)10-14-22(27(24)4)13-8-18-6-11-21(12-7-18)26(2)3/h5-16H,1-4H3/q+1.
What are the key properties of 4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 354.48 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1,7-dimethylpyrido[2,3-g]quinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 6295789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).