N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

C22H16Cl2N2O2 — CID 1220612

IUPACN-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)o1
InChIInChI=1S/C22H16Cl2N2O2/c1-13-6-9-21(28-13)20-11-16(15-4-2-3-5-19(15)26-20)22(27)25-12-14-7-8-17(23)18(24)10-14/h2-11H,12H2,1H3,(H,25,27)
InChIKeySXJUTPIRPWWYFW-UHFFFAOYSA-N
MW411.29 g/mol
LogP6.04
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 1220612) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
PubChem CID1220612
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)o1
InChIInChI=1S/C22H16Cl2N2O2/c1-13-6-9-21(28-13)20-11-16(15-4-2-3-5-19(15)26-20)22(27)25-12-14-7-8-17(23)18(24)10-14/h2-11H,12H2,1H3,(H,25,27)
InChIKeySXJUTPIRPWWYFW-UHFFFAOYSA-N
XLogP6.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
CID 3420064
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
N-[2-(ethylamino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18145630
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 138042136
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2483564
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 7535629
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 1220612) is N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)o1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The InChIKey is SXJUTPIRPWWYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c1-13-6-9-21(28-13)20-11-16(15-4-2-3-5-19(15)26-20)22(27)25-12-14-7-8-17(23)18(24)10-14/h2-11H,12H2,1H3,(H,25,27).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 411.29 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1220612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).