2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide

C23H14Cl2N2O3 — CID 5212111

IUPAC2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C23H14Cl2N2O3/c24-14-8-15(25)10-16(9-14)26-23(28)18-11-20(27-19-4-2-1-3-17(18)19)13-5-6-21-22(7-13)30-12-29-21/h1-11H,12H2,(H,26,28)
InChIKeyQBJPNDVXZSZITJ-UHFFFAOYSA-N
MW437.28 g/mol
LogP6.19
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide

2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide (PubChem CID 5212111) has the molecular formula C23H14Cl2N2O3 and a molecular weight of 437.28 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
PubChem CID5212111
Molecular FormulaC23H14Cl2N2O3
Molecular Weight437.28 g/mol
Exact Mass436.04
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C23H14Cl2N2O3/c24-14-8-15(25)10-16(9-14)26-23(28)18-11-20(27-19-4-2-1-3-17(18)19)13-5-6-21-22(7-13)30-12-29-21/h1-11H,12H2,(H,26,28)
InChIKeyQBJPNDVXZSZITJ-UHFFFAOYSA-N
XLogP6.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.28
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide
CID 1261906
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide
CID 3540757
2-(1,3-benzodioxol-5-yl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 3540981
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199
2-(3-bromophenyl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 4278826
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
2-(1,3-benzodioxol-5-yl)-N-heptan-4-ylquinoline-4-carboxamide
CID 46098215
2-(1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 3299436
2-(1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 5189265
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]quinoline-4-carboxamide
CID 46536558
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
CID 58658852
2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
CID 46779784

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide (CID 5212111) is 2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide?
The InChIKey is QBJPNDVXZSZITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N2O3/c24-14-8-15(25)10-16(9-14)26-23(28)18-11-20(27-19-4-2-1-3-17(18)19)13-5-6-21-22(7-13)30-12-29-21/h1-11H,12H2,(H,26,28).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide?
2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide has a molecular weight of 437.28 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5212111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).