N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C16H15IN2O — CID 43325719

IUPACN-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H15IN2O/c17-13-5-1-2-6-15(13)19-16(20)12-7-8-14-11(10-12)4-3-9-18-14/h1-2,5-8,10,18H,3-4,9H2,(H,19,20)
InChIKeyFWOTZILTKRBSOM-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.90
Rot. Bonds2

About N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 43325719) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID43325719
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC NameN-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H15IN2O/c17-13-5-1-2-6-15(13)19-16(20)12-7-8-14-11(10-12)4-3-9-18-14/h1-2,5-8,10,18H,3-4,9H2,(H,19,20)
InChIKeyFWOTZILTKRBSOM-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547
N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 166234926
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 103479340
N-(2-chlorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325613
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325639
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997885
N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325681
N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704526
N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60927886
N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325644

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 43325719) is N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(Nc1ccccc1I)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is FWOTZILTKRBSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O/c17-13-5-1-2-6-15(13)19-16(20)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 N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 378.21 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 43325719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).