quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate

C16H10ClN3O4 — CID 3325458

IUPACquinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1cccc2cccnc12
InChIInChI=1S/C16H10ClN3O4/c17-12-9-11(20(22)23)6-7-13(12)19-16(21)24-14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,(H,19,21)
InChIKeyVNVNBPALDZOGQQ-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.41
Rot. Bonds3

About quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate

quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate (PubChem CID 3325458) has the molecular formula C16H10ClN3O4 and a molecular weight of 343.73 g/mol. Its IUPAC name is quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate.

Molecular Properties

Compound Namequinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate
PubChem CID3325458
Molecular FormulaC16H10ClN3O4
Molecular Weight343.73 g/mol
Exact Mass343.04
IUPAC Namequinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1cccc2cccnc12
InChIInChI=1S/C16H10ClN3O4/c17-12-9-11(20(22)23)6-7-13(12)19-16(21)24-14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,(H,19,21)
InChIKeyVNVNBPALDZOGQQ-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-(4-chloro-3-nitrophenyl)carbamate
CID 5141993
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-quinolin-8-ylacetate
CID 55488507
quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
CID 4114016
quinolin-8-yl N-(3,4-dichlorophenyl)carbamate
CID 3623243
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
quinolin-8-yl 2,5-dinitrobenzoate
CID 3124826
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
(2,4-dichloronaphthalen-1-yl) N-(2-chloro-4-nitrophenyl)carbamate
CID 5238359
6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide
CID 62234009
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 2-quinolin-8-ylacetate
CID 55488038
(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 4121365
(2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate
CID 3641246

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate?
The IUPAC name of quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate (CID 3325458) is quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate.
What is the SMILES notation for quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate?
The canonical SMILES for quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate?
The InChIKey is VNVNBPALDZOGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O4/c17-12-9-11(20(22)23)6-7-13(12)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-(2-chloro-4-nitrophenyl)carbamate?
quinolin-8-yl N-(2-chloro-4-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-(2-chloro-4-nitrophenyl)carbamate is sourced from PubChem (CID 3325458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).