4-amino-N-(2-iodophenyl)quinoline-2-carboxamide

C16H12IN3O — CID 63375620

IUPAC4-amino-N-(2-iodophenyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)Nc2ccccc2I)nc2ccccc12
InChIInChI=1S/C16H12IN3O/c17-11-6-2-4-8-14(11)20-16(21)15-9-12(18)10-5-1-3-7-13(10)19-15/h1-9H,(H2,18,19)(H,20,21)
InChIKeyLDLSWSABIKCWLX-UHFFFAOYSA-N
MW389.20 g/mol
LogP3.67
Rot. Bonds2

About 4-amino-N-(2-iodophenyl)quinoline-2-carboxamide

4-amino-N-(2-iodophenyl)quinoline-2-carboxamide (PubChem CID 63375620) has the molecular formula C16H12IN3O and a molecular weight of 389.20 g/mol. Its IUPAC name is 4-amino-N-(2-iodophenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-iodophenyl)quinoline-2-carboxamide
PubChem CID63375620
Molecular FormulaC16H12IN3O
Molecular Weight389.20 g/mol
Exact Mass389.00
IUPAC Name4-amino-N-(2-iodophenyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)Nc2ccccc2I)nc2ccccc12
InChIInChI=1S/C16H12IN3O/c17-11-6-2-4-8-14(11)20-16(21)15-9-12(18)10-5-1-3-7-13(10)19-15/h1-9H,(H2,18,19)(H,20,21)
InChIKeyLDLSWSABIKCWLX-UHFFFAOYSA-N
XLogP3.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.20
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-bromophenyl)quinoline-2-carboxamide
CID 63375071
4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 63377505
4-amino-N-(4-methyl-3-pyridinyl)quinoline-2-carboxamide
CID 63375284
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-(3-bromophenyl)quinoline-2-carboxamide
CID 63375115
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-amino-N-(thiadiazol-5-yl)quinoline-2-carboxamide
CID 114912372
4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide
CID 107585398
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide
CID 115751996
4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide
CID 106384946
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-iodophenyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(2-iodophenyl)quinoline-2-carboxamide (CID 63375620) is 4-amino-N-(2-iodophenyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-iodophenyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-iodophenyl)quinoline-2-carboxamide is Nc1cc(C(=O)Nc2ccccc2I)nc2ccccc12.
What is the InChIKey of 4-amino-N-(2-iodophenyl)quinoline-2-carboxamide?
The InChIKey is LDLSWSABIKCWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3O/c17-11-6-2-4-8-14(11)20-16(21)15-9-12(18)10-5-1-3-7-13(10)19-15/h1-9H,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-N-(2-iodophenyl)quinoline-2-carboxamide?
4-amino-N-(2-iodophenyl)quinoline-2-carboxamide has a molecular weight of 389.20 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-iodophenyl)quinoline-2-carboxamide is sourced from PubChem (CID 63375620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).