8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide

C20H13Cl2N5O2 — CID 19592874

IUPAC8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-n1ccnc1
InChIInChI=1S/C20H13Cl2N5O2/c21-13-4-2-5-14(22)16(13)20(29)26-15-6-1-3-11-17(15)25-9-12(19(23)28)18(11)27-8-7-24-10-27/h1-10H,(H2,23,28)(H,26,29)
InChIKeyWQUZWWXAQRNBKZ-UHFFFAOYSA-N
MW426.26 g/mol
LogP4.08
Rot. Bonds4

About 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide

8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide (PubChem CID 19592874) has the molecular formula C20H13Cl2N5O2 and a molecular weight of 426.26 g/mol. Its IUPAC name is 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide
PubChem CID19592874
Molecular FormulaC20H13Cl2N5O2
Molecular Weight426.26 g/mol
Exact Mass425.04
IUPAC Name8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-n1ccnc1
InChIInChI=1S/C20H13Cl2N5O2/c21-13-4-2-5-14(22)16(13)20(29)26-15-6-1-3-11-17(15)25-9-12(19(23)28)18(11)27-8-7-24-10-27/h1-10H,(H2,23,28)(H,26,29)
InChIKeyWQUZWWXAQRNBKZ-UHFFFAOYSA-N
XLogP4.08
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.26
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinolin-3-yl]carbamate
CID 19592482
2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide
CID 139782597
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
CID 19592781
2,6-dichloro-N-[3-methyl-4-(4-phenylimidazol-1-yl)quinolin-8-yl]benzamide
CID 139782382
N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592896
4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
CID 63307734
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592628
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-[(dimethylamino)methyl]quinoline-3-carboxylate
CID 19592589

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide?
The IUPAC name of 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide (CID 19592874) is 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide.
What is the SMILES notation for 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide?
The canonical SMILES for 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide is NC(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-n1ccnc1.
What is the InChIKey of 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide?
The InChIKey is WQUZWWXAQRNBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N5O2/c21-13-4-2-5-14(22)16(13)20(29)26-15-6-1-3-11-17(15)25-9-12(19(23)28)18(11)27-8-7-24-10-27/h1-10H,(H2,23,28)(H,26,29).
What are the key properties of 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide?
8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide has a molecular weight of 426.26 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 19592874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).