2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide

C20H14Cl2N4O — CID 139782597

IUPAC2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide
SMILESCc1cc(-n2ccnc2)c2cccc(NC(=O)c3c(Cl)cccc3Cl)c2n1
InChIInChI=1S/C20H14Cl2N4O/c1-12-10-17(26-9-8-23-11-26)13-4-2-7-16(19(13)24-12)25-20(27)18-14(21)5-3-6-15(18)22/h2-11H,1H3,(H,25,27)
InChIKeyFAWXXMFEWYFJGJ-UHFFFAOYSA-N
MW397.27 g/mol
LogP5.29
Rot. Bonds3

About 2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide

2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide (PubChem CID 139782597) has the molecular formula C20H14Cl2N4O and a molecular weight of 397.27 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide
PubChem CID139782597
Molecular FormulaC20H14Cl2N4O
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide
SMILESCc1cc(-n2ccnc2)c2cccc(NC(=O)c3c(Cl)cccc3Cl)c2n1
InChIInChI=1S/C20H14Cl2N4O/c1-12-10-17(26-9-8-23-11-26)13-4-2-7-16(19(13)24-12)25-20(27)18-14(21)5-3-6-15(18)22/h2-11H,1H3,(H,25,27)
InChIKeyFAWXXMFEWYFJGJ-UHFFFAOYSA-N
XLogP5.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.27
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide
CID 19592874
2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide
CID 139782319
N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide
CID 56977731
tert-butyl N-[8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinolin-3-yl]carbamate
CID 19592482
2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 57001168
2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide
CID 59484278
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide
CID 59484368
2,6-dichloro-N-(2-methylimidazo[1,2-a]pyridin-8-yl)benzamide
CID 10591757
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
2-acetamido-N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 18704953
1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78899796
N-[2-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]pyridine-4-carboxamide
CID 18704944

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide (CID 139782597) is 2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide is Cc1cc(-n2ccnc2)c2cccc(NC(=O)c3c(Cl)cccc3Cl)c2n1.
What is the InChIKey of 2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide?
The InChIKey is FAWXXMFEWYFJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O/c1-12-10-17(26-9-8-23-11-26)13-4-2-7-16(19(13)24-12)25-20(27)18-14(21)5-3-6-15(18)22/h2-11H,1H3,(H,25,27).
What are the key properties of 2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide?
2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide has a molecular weight of 397.27 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide is sourced from PubChem (CID 139782597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).