quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate

C16H10ClN3O4 — CID 5141993

IUPACquinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Oc1cccc2cccnc12
InChIInChI=1S/C16H10ClN3O4/c17-12-7-6-11(9-13(12)20(22)23)19-16(21)24-14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,(H,19,21)
InChIKeyKHWVZPBYPMLYHD-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.41
Rot. Bonds3

About quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate

quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate (PubChem CID 5141993) has the molecular formula C16H10ClN3O4 and a molecular weight of 343.73 g/mol. Its IUPAC name is quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate.

Molecular Properties

Compound Namequinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate
PubChem CID5141993
Molecular FormulaC16H10ClN3O4
Molecular Weight343.73 g/mol
Exact Mass343.04
IUPAC Namequinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Oc1cccc2cccnc12
InChIInChI=1S/C16H10ClN3O4/c17-12-7-6-11(9-13(12)20(22)23)19-16(21)24-14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,(H,19,21)
InChIKeyKHWVZPBYPMLYHD-UHFFFAOYSA-N
XLogP4.41
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

quinolin-8-yl N-(3,4-dichlorophenyl)carbamate
CID 3623243
(2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate
CID 3391837
quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate
CID 3325458
quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
CID 4114016
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
quinolin-8-yl 2,5-dinitrobenzoate
CID 3124826
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607
quinolin-8-yl N-(4-pentoxyphenyl)carbamate
CID 69031420
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
quinolin-8-yl N-(4-nonoxyphenyl)carbamate
CID 69032746
quinolin-8-yl N-(4-decoxyphenyl)carbamate
CID 69033339
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate?
The IUPAC name of quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate (CID 5141993) is quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate.
What is the SMILES notation for quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate?
The canonical SMILES for quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate?
The InChIKey is KHWVZPBYPMLYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O4/c17-12-7-6-11(9-13(12)20(22)23)19-16(21)24-14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,(H,19,21).
What are the key properties of quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate?
quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate has a molecular weight of 343.73 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate is sourced from PubChem (CID 5141993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).