ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate

C13H12N4O2 — CID 141170847

IUPACethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate
SMILESCCOC(=O)Nc1nc2ccccc2c2nc[nH]c12
InChIInChI=1S/C13H12N4O2/c1-2-19-13(18)17-12-11-10(14-7-15-11)8-5-3-4-6-9(8)16-12/h3-7H,2H2,1H3,(H,14,15)(H,16,17,18)
InChIKeyVTTCPMYVCMRXRT-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.68
Rot. Bonds2

About ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate

ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate (PubChem CID 141170847) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate
PubChem CID141170847
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Nameethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate
SMILESCCOC(=O)Nc1nc2ccccc2c2nc[nH]c12
InChIInChI=1S/C13H12N4O2/c1-2-19-13(18)17-12-11-10(14-7-15-11)8-5-3-4-6-9(8)16-12/h3-7H,2H2,1H3,(H,14,15)(H,16,17,18)
InChIKeyVTTCPMYVCMRXRT-UHFFFAOYSA-N
XLogP2.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride
CID 69086534
4-phenyl-3H-imidazo[4,5-c]quinoline
CID 67335151
2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid
CID 122047294
ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 141399754
diethyl 2-[[[2-(dimethylamino)quinazolin-4-yl]amino]methylidene]propanedioate
CID 13060475
ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate
CID 12887749
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
CID 124926423
ethyl N-(3-phenyloxatriazol-3-ium-5-yl)carbamate
CID 10014241
ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate
CID 13029756
benzene;ethyl N-benzylcarbamate
CID 67715166

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate?
The IUPAC name of ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate (CID 141170847) is ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate.
What is the SMILES notation for ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate?
The canonical SMILES for ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate is CCOC(=O)Nc1nc2ccccc2c2nc[nH]c12.
What is the InChIKey of ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate?
The InChIKey is VTTCPMYVCMRXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-2-19-13(18)17-12-11-10(14-7-15-11)8-5-3-4-6-9(8)16-12/h3-7H,2H2,1H3,(H,14,15)(H,16,17,18).
What are the key properties of ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate?
ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate has a molecular weight of 256.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate is sourced from PubChem (CID 141170847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).