2,4-dichloro-N-phenylquinoline-3-carboxamide

C16H10Cl2N2O — CID 2786668

IUPAC2,4-dichloro-N-phenylquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(Cl)nc2ccccc2c1Cl
InChIInChI=1S/C16H10Cl2N2O/c17-14-11-8-4-5-9-12(11)20-15(18)13(14)16(21)19-10-6-2-1-3-7-10/h1-9H,(H,19,21)
InChIKeyBJRPRPYCSZDQEL-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.79
Rot. Bonds2

About 2,4-dichloro-N-phenylquinoline-3-carboxamide

2,4-dichloro-N-phenylquinoline-3-carboxamide (PubChem CID 2786668) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is 2,4-dichloro-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-N-phenylquinoline-3-carboxamide
PubChem CID2786668
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name2,4-dichloro-N-phenylquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(Cl)nc2ccccc2c1Cl
InChIInChI=1S/C16H10Cl2N2O/c17-14-11-8-4-5-9-12(11)20-15(18)13(14)16(21)19-10-6-2-1-3-7-10/h1-9H,(H,19,21)
InChIKeyBJRPRPYCSZDQEL-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 4656022
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide
CID 22146664
2,4-dichloroquinoline-3-carbaldehyde
CID 14920516
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide
CID 102109299
4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide
CID 59301844
3-bromo-2-chloroquinoline-4-carboxylic acid
CID 97180491
ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide
CID 22146675
4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide
CID 63483680

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-phenylquinoline-3-carboxamide?
The IUPAC name of 2,4-dichloro-N-phenylquinoline-3-carboxamide (CID 2786668) is 2,4-dichloro-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 2,4-dichloro-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 2,4-dichloro-N-phenylquinoline-3-carboxamide is O=C(Nc1ccccc1)c1c(Cl)nc2ccccc2c1Cl.
What is the InChIKey of 2,4-dichloro-N-phenylquinoline-3-carboxamide?
The InChIKey is BJRPRPYCSZDQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-14-11-8-4-5-9-12(11)20-15(18)13(14)16(21)19-10-6-2-1-3-7-10/h1-9H,(H,19,21).
What are the key properties of 2,4-dichloro-N-phenylquinoline-3-carboxamide?
2,4-dichloro-N-phenylquinoline-3-carboxamide has a molecular weight of 317.18 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 2786668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).