2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate

C16H21IN2O3 — CID 174680119

IUPAC2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCc1cc2c(cc1I)CCC(=O)N2
InChIInChI=1S/C16H21IN2O3/c1-16(2,3)19-15(21)22-7-6-10-9-13-11(8-12(10)17)4-5-14(20)18-13/h8-9H,4-7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyAQRMLLWMYIODRO-UHFFFAOYSA-N
MW416.26 g/mol
LogP3.24
Rot. Bonds3

About 2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate

2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate (PubChem CID 174680119) has the molecular formula C16H21IN2O3 and a molecular weight of 416.26 g/mol. Its IUPAC name is 2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate
PubChem CID174680119
Molecular FormulaC16H21IN2O3
Molecular Weight416.26 g/mol
Exact Mass416.06
IUPAC Name2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCc1cc2c(cc1I)CCC(=O)N2
InChIInChI=1S/C16H21IN2O3/c1-16(2,3)19-15(21)22-7-6-10-9-13-11(8-12(10)17)4-5-14(20)18-13/h8-9H,4-7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyAQRMLLWMYIODRO-UHFFFAOYSA-N
XLogP3.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate with MolForge

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Related Compounds

tert-butyl-[2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl]carbamic acid
CID 66982623
7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one
CID 145283835
ethyl 3-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate
CID 2749821
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid
CID 61329541
2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057
tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
CID 103817909
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
CID 115168783
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116927551
2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate
CID 90775428
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516

Frequently Asked Questions

What is the IUPAC name of 2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate?
The IUPAC name of 2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate (CID 174680119) is 2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCc1cc2c(cc1I)CCC(=O)N2.
What is the InChIKey of 2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate?
The InChIKey is AQRMLLWMYIODRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2O3/c1-16(2,3)19-15(21)22-7-6-10-9-13-11(8-12(10)17)4-5-14(20)18-13/h8-9H,4-7H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate?
2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate has a molecular weight of 416.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 174680119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).