methyl N-benzo[h]quinolin-9-ylcarbamate

C15H12N2O2 — CID 102128931

IUPACmethyl N-benzo[h]quinolin-9-ylcarbamate
SMILESCOC(=O)Nc1ccc2ccc3cccnc3c2c1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)17-12-7-6-10-4-5-11-3-2-8-16-14(11)13(10)9-12/h2-9H,1H3,(H,17,18)
InChIKeyXHHYOUHPHGAZJT-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.57
Rot. Bonds1

About methyl N-benzo[h]quinolin-9-ylcarbamate

methyl N-benzo[h]quinolin-9-ylcarbamate (PubChem CID 102128931) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl N-benzo[h]quinolin-9-ylcarbamate.

Molecular Properties

Compound Namemethyl N-benzo[h]quinolin-9-ylcarbamate
PubChem CID102128931
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namemethyl N-benzo[h]quinolin-9-ylcarbamate
SMILESCOC(=O)Nc1ccc2ccc3cccnc3c2c1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)17-12-7-6-10-4-5-11-3-2-8-16-14(11)13(10)9-12/h2-9H,1H3,(H,17,18)
InChIKeyXHHYOUHPHGAZJT-UHFFFAOYSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze methyl N-benzo[h]quinolin-9-ylcarbamate 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

methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate
CID 112989327
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
quinolin-8-yl N-(3,4-dichlorophenyl)carbamate
CID 3623243
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
dimethyl (E)-but-2-enedioate;1,10-phenanthroline;platinum
CID 10896613
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
methyl 3-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956340
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
methyl N-quinolin-3-ylcarbamate
CID 19697860

Frequently Asked Questions

What is the IUPAC name of methyl N-benzo[h]quinolin-9-ylcarbamate?
The IUPAC name of methyl N-benzo[h]quinolin-9-ylcarbamate (CID 102128931) is methyl N-benzo[h]quinolin-9-ylcarbamate.
What is the SMILES notation for methyl N-benzo[h]quinolin-9-ylcarbamate?
The canonical SMILES for methyl N-benzo[h]quinolin-9-ylcarbamate is COC(=O)Nc1ccc2ccc3cccnc3c2c1.
What is the InChIKey of methyl N-benzo[h]quinolin-9-ylcarbamate?
The InChIKey is XHHYOUHPHGAZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-15(18)17-12-7-6-10-4-5-11-3-2-8-16-14(11)13(10)9-12/h2-9H,1H3,(H,17,18).
What are the key properties of methyl N-benzo[h]quinolin-9-ylcarbamate?
methyl N-benzo[h]quinolin-9-ylcarbamate has a molecular weight of 252.27 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzo[h]quinolin-9-ylcarbamate is sourced from PubChem (CID 102128931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).