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

C16H14ClIN2O — CID 106901274

IUPACN-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1Cl)C1CNc2ccccc2C1
InChIInChI=1S/C16H14ClIN2O/c17-13-8-12(18)5-6-15(13)20-16(21)11-7-10-3-1-2-4-14(10)19-9-11/h1-6,8,11,19H,7,9H2,(H,20,21)
InChIKeyDZUOIYPPSQIHRV-UHFFFAOYSA-N
MW412.66 g/mol
LogP4.17
Rot. Bonds2

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

N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901274) has the molecular formula C16H14ClIN2O and a molecular weight of 412.66 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901274
Molecular FormulaC16H14ClIN2O
Molecular Weight412.66 g/mol
Exact Mass411.98
IUPAC NameN-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1Cl)C1CNc2ccccc2C1
InChIInChI=1S/C16H14ClIN2O/c17-13-8-12(18)5-6-15(13)20-16(21)11-7-10-3-1-2-4-14(10)19-9-11/h1-6,8,11,19H,7,9H2,(H,20,21)
InChIKeyDZUOIYPPSQIHRV-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.66
LogP ≤ 54.17
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-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901161
N-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901174
N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901173
N-(2-bromo-4-fluorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901205
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
N-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901707
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901165
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901584
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901710

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901274) is N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(Nc1ccc(I)cc1Cl)C1CNc2ccccc2C1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is DZUOIYPPSQIHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClIN2O/c17-13-8-12(18)5-6-15(13)20-16(21)11-7-10-3-1-2-4-14(10)19-9-11/h1-6,8,11,19H,7,9H2,(H,20,21).
What are the key properties of N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 412.66 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).