ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate

C24H24N3O2+ — CID 24841060

IUPACethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)c(Cc1ccc(N)cc1)[n+](C)c1ccccc21
InChIInChI=1S/C24H23N3O2/c1-3-29-24(28)26-18-12-13-19-20-6-4-5-7-22(20)27(2)23(21(19)15-18)14-16-8-10-17(25)11-9-16/h4-13,15H,3,14,25H2,1-2H3/p+1
InChIKeyRVHIAKIIWHDKFU-UHFFFAOYSA-O
MW386.48 g/mol
LogP4.56
Rot. Bonds4

About ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate

ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate (PubChem CID 24841060) has the molecular formula C24H24N3O2+ and a molecular weight of 386.48 g/mol. Its IUPAC name is ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate
PubChem CID24841060
Molecular FormulaC24H24N3O2+
Molecular Weight386.48 g/mol
Exact Mass386.19
IUPAC Nameethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)c(Cc1ccc(N)cc1)[n+](C)c1ccccc21
InChIInChI=1S/C24H23N3O2/c1-3-29-24(28)26-18-12-13-19-20-6-4-5-7-22(20)27(2)23(21(19)15-18)14-16-8-10-17(25)11-9-16/h4-13,15H,3,14,25H2,1-2H3/p+1
InChIKeyRVHIAKIIWHDKFU-UHFFFAOYSA-O
XLogP4.56
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[6-(4-aminophenyl)-5-methylphenanthridin-5-ium-3-yl]carbamate
CID 24841100
ethyl N-(5,6-dimethylphenanthridin-5-ium-8-yl)carbamate;methyl hydrogen sulfate
CID 24841175
ethyl N-[6-butyl-3-(ethoxycarbonylamino)-5-methylphenanthridin-5-ium-8-yl]carbamate
CID 24841141
ethyl N-[5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-2-yl]carbamate
CID 166612172
6-benzyl-5-methylphenanthridin-5-ium chloride
CID 24841138
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-(4-benzyl-3-propylphenyl)carbamate
CID 159677631
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-ethylbenzoate
CID 7775602
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
CID 154341354
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate?
The IUPAC name of ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate (CID 24841060) is ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate.
What is the SMILES notation for ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate?
The canonical SMILES for ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate is CCOC(=O)Nc1ccc2c(c1)c(Cc1ccc(N)cc1)[n+](C)c1ccccc21.
What is the InChIKey of ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate?
The InChIKey is RVHIAKIIWHDKFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N3O2/c1-3-29-24(28)26-18-12-13-19-20-6-4-5-7-22(20)27(2)23(21(19)15-18)14-16-8-10-17(25)11-9-16/h4-13,15H,3,14,25H2,1-2H3/p+1.
What are the key properties of ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate?
ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate has a molecular weight of 386.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[(4-aminophenyl)methyl]-5-methylphenanthridin-5-ium-8-yl]carbamate is sourced from PubChem (CID 24841060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).