N-(3-iodopropyl)quinoline-4-carboxamide

C13H13IN2O — CID 114504474

IUPACN-(3-iodopropyl)quinoline-4-carboxamide
SMILESO=C(NCCCI)c1ccnc2ccccc12
InChIInChI=1S/C13H13IN2O/c14-7-3-8-16-13(17)11-6-9-15-12-5-2-1-4-10(11)12/h1-2,4-6,9H,3,7-8H2,(H,16,17)
InChIKeyDFRMOIQRBGRDEB-UHFFFAOYSA-N
MW340.16 g/mol
LogP2.79
Rot. Bonds4

About N-(3-iodopropyl)quinoline-4-carboxamide

N-(3-iodopropyl)quinoline-4-carboxamide (PubChem CID 114504474) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is N-(3-iodopropyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-iodopropyl)quinoline-4-carboxamide
PubChem CID114504474
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC NameN-(3-iodopropyl)quinoline-4-carboxamide
SMILESO=C(NCCCI)c1ccnc2ccccc12
InChIInChI=1S/C13H13IN2O/c14-7-3-8-16-13(17)11-6-9-15-12-5-2-1-4-10(11)12/h1-2,4-6,9H,3,7-8H2,(H,16,17)
InChIKeyDFRMOIQRBGRDEB-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
CID 106307902
N-(4-azidobutyl)quinoline-4-carboxamide
CID 106386810
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
CID 60515386
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
CID 59018404
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-iodopropyl)quinoline-4-carboxamide (CID 114504474) is N-(3-iodopropyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-iodopropyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-iodopropyl)quinoline-4-carboxamide is O=C(NCCCI)c1ccnc2ccccc12.
What is the InChIKey of N-(3-iodopropyl)quinoline-4-carboxamide?
The InChIKey is DFRMOIQRBGRDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O/c14-7-3-8-16-13(17)11-6-9-15-12-5-2-1-4-10(11)12/h1-2,4-6,9H,3,7-8H2,(H,16,17).
What are the key properties of N-(3-iodopropyl)quinoline-4-carboxamide?
N-(3-iodopropyl)quinoline-4-carboxamide has a molecular weight of 340.16 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)quinoline-4-carboxamide is sourced from PubChem (CID 114504474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).