N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide

C24H24N3O+ — CID 71818828

IUPACN-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide
SMILESCC(=O)N(C)c1cc(/C=C/c2c(C)[nH]c3ccccc23)[n+](C)c2ccccc12
InChIInChI=1S/C24H23N3O/c1-16-19(20-9-5-7-11-22(20)25-16)14-13-18-15-24(26(3)17(2)28)21-10-6-8-12-23(21)27(18)4/h5-15H,1-4H3/p+1
InChIKeyFUVFESQEQPADHM-UHFFFAOYSA-O
MW370.48 g/mol
LogP4.61
Rot. Bonds3

About N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide

N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide (PubChem CID 71818828) has the molecular formula C24H24N3O+ and a molecular weight of 370.48 g/mol. Its IUPAC name is N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide
PubChem CID71818828
Molecular FormulaC24H24N3O+
Molecular Weight370.48 g/mol
Exact Mass370.19
IUPAC NameN-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide
SMILESCC(=O)N(C)c1cc(/C=C/c2c(C)[nH]c3ccccc23)[n+](C)c2ccccc12
InChIInChI=1S/C24H23N3O/c1-16-19(20-9-5-7-11-22(20)25-16)14-13-18-15-24(26(3)17(2)28)21-10-6-8-12-23(21)27(18)4/h5-15H,1-4H3/p+1
InChIKeyFUVFESQEQPADHM-UHFFFAOYSA-O
XLogP4.61
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-amine
CID 73350754
N,1-dimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-amine iodide
CID 71818676
(E)-4-(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 960498
2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole chloride
CID 45488273
methyl 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium-5-carboxylate
CID 46499643
(E)-2-methyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 116866126
hydrogen sulfate;1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium
CID 74934976
(E)-6-(2-methyl-1H-indol-3-yl)hex-5-enoic acid
CID 82293705
(E)-4-(2-methyl-1H-indol-3-yl)pent-3-en-2-one
CID 66575320
2-hydroxy-N,2-dimethyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 115178660
3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 2880245
tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate
CID 169468877

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide (CID 71818828) is N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide is CC(=O)N(C)c1cc(/C=C/c2c(C)[nH]c3ccccc23)[n+](C)c2ccccc12.
What is the InChIKey of N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide?
The InChIKey is FUVFESQEQPADHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N3O/c1-16-19(20-9-5-7-11-22(20)25-16)14-13-18-15-24(26(3)17(2)28)21-10-6-8-12-23(21)27(18)4/h5-15H,1-4H3/p+1.
What are the key properties of N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide?
N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-yl]acetamide is sourced from PubChem (CID 71818828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).