N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate

C18H15N2O3- — CID 57353311

IUPACN-benzyl-N-(6-methoxyquinolin-8-yl)carbamate
SMILESCOc1cc(N(Cc2ccccc2)C(=O)[O-])c2ncccc2c1
InChIInChI=1S/C18H16N2O3/c1-23-15-10-14-8-5-9-19-17(14)16(11-15)20(18(21)22)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,21,22)/p-1
InChIKeyAYNPZYCUTWROHJ-UHFFFAOYSA-M
MW307.33 g/mol
LogP2.59
Rot. Bonds4

About N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate

N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate (PubChem CID 57353311) has the molecular formula C18H15N2O3- and a molecular weight of 307.33 g/mol. Its IUPAC name is N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate.

Molecular Properties

Compound NameN-benzyl-N-(6-methoxyquinolin-8-yl)carbamate
PubChem CID57353311
Molecular FormulaC18H15N2O3-
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC NameN-benzyl-N-(6-methoxyquinolin-8-yl)carbamate
SMILESCOc1cc(N(Cc2ccccc2)C(=O)[O-])c2ncccc2c1
InChIInChI=1S/C18H16N2O3/c1-23-15-10-14-8-5-9-19-17(14)16(11-15)20(18(21)22)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,21,22)/p-1
InChIKeyAYNPZYCUTWROHJ-UHFFFAOYSA-M
XLogP2.59
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate?
The IUPAC name of N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate (CID 57353311) is N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate.
What is the SMILES notation for N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate?
The canonical SMILES for N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate is COc1cc(N(Cc2ccccc2)C(=O)[O-])c2ncccc2c1.
What is the InChIKey of N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate?
The InChIKey is AYNPZYCUTWROHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N2O3/c1-23-15-10-14-8-5-9-19-17(14)16(11-15)20(18(21)22)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,21,22)/p-1.
What are the key properties of N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate?
N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate has a molecular weight of 307.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-methoxyquinolin-8-yl)carbamate is sourced from PubChem (CID 57353311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).