2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide

C19H20IN3O2 — CID 166365058

IUPAC2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
SMILESCC(NC(=O)C(N)c1ccccc1I)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H20IN3O2/c1-11(12-6-8-16-13(10-12)7-9-17(24)23-16)22-19(25)18(21)14-4-2-3-5-15(14)20/h2-6,8,10-11,18H,7,9,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyXOXSTFFXPFRWOK-UHFFFAOYSA-N
MW449.29 g/mol
LogP3.05
Rot. Bonds4

About 2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide

2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide (PubChem CID 166365058) has the molecular formula C19H20IN3O2 and a molecular weight of 449.29 g/mol. Its IUPAC name is 2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
PubChem CID166365058
Molecular FormulaC19H20IN3O2
Molecular Weight449.29 g/mol
Exact Mass449.06
IUPAC Name2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
SMILESCC(NC(=O)C(N)c1ccccc1I)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H20IN3O2/c1-11(12-6-8-16-13(10-12)7-9-17(24)23-16)22-19(25)18(21)14-4-2-3-5-15(14)20/h2-6,8,10-11,18H,7,9,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyXOXSTFFXPFRWOK-UHFFFAOYSA-N
XLogP3.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide
CID 119729796
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057
2-amino-2-(4-methylphenyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 120667587
2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 51089323
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781
2-(3,5-difluorophenyl)-2-methoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 154845292
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
3-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopentane-1-carboxamide
CID 119729790
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
3-(2-fluorophenoxy)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 94078790

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
The IUPAC name of 2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide (CID 166365058) is 2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide is CC(NC(=O)C(N)c1ccccc1I)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
The InChIKey is XOXSTFFXPFRWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O2/c1-11(12-6-8-16-13(10-12)7-9-17(24)23-16)22-19(25)18(21)14-4-2-3-5-15(14)20/h2-6,8,10-11,18H,7,9,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide has a molecular weight of 449.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide is sourced from PubChem (CID 166365058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).