1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate

C16H15ClN2O2 — CID 11514982

IUPAC1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate
SMILESO=C(Nc1ccccc1Cl)Oc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H15ClN2O2/c17-13-5-1-2-6-15(13)19-16(20)21-12-7-8-14-11(10-12)4-3-9-18-14/h1-2,5-8,10,18H,3-4,9H2,(H,19,20)
InChIKeyKCTCLSDBDRUWKY-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.31
Rot. Bonds2

About 1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate

1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate (PubChem CID 11514982) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate
PubChem CID11514982
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate
SMILESO=C(Nc1ccccc1Cl)Oc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H15ClN2O2/c17-13-5-1-2-6-15(13)19-16(20)21-12-7-8-14-11(10-12)4-3-9-18-14/h1-2,5-8,10,18H,3-4,9H2,(H,19,20)
InChIKeyKCTCLSDBDRUWKY-UHFFFAOYSA-N
XLogP4.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325613
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 103479340
(4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate
CID 3542576
1,2,3,4-tetrahydroquinolin-6-yl hexanoate
CID 23036154
N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325719
N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 166234926
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547
6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
CID 16792853
(3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate
CID 4093750
6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104384
[4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate
CID 79337961
2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 4146627

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate (CID 11514982) is 1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate is O=C(Nc1ccccc1Cl)Oc1ccc2c(c1)CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate?
The InChIKey is KCTCLSDBDRUWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-13-5-1-2-6-15(13)19-16(20)21-12-7-8-14-11(10-12)4-3-9-18-14/h1-2,5-8,10,18H,3-4,9H2,(H,19,20).
What are the key properties of 1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate?
1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate has a molecular weight of 302.76 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate is sourced from PubChem (CID 11514982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).