6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide

C22H22ClN3O2 — CID 87025093

IUPAC6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)c2cc(Cl)cc3cccnc23)cc1
InChIInChI=1S/C22H22ClN3O2/c1-3-26(4-2)22(28)16-9-7-15(8-10-16)14-25-21(27)19-13-18(23)12-17-6-5-11-24-20(17)19/h5-13H,3-4,14H2,1-2H3,(H,25,27)
InChIKeyZQUQWIMUHZZXCE-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.30
Rot. Bonds6

About 6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide

6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide (PubChem CID 87025093) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide
PubChem CID87025093
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)c2cc(Cl)cc3cccnc23)cc1
InChIInChI=1S/C22H22ClN3O2/c1-3-26(4-2)22(28)16-9-7-15(8-10-16)14-25-21(27)19-13-18(23)12-17-6-5-11-24-20(17)19/h5-13H,3-4,14H2,1-2H3,(H,25,27)
InChIKeyZQUQWIMUHZZXCE-UHFFFAOYSA-N
XLogP4.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
CID 55881590
6-chloro-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline-8-carboxamide
CID 56781980
6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide
CID 55871851
6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide
CID 55912973
6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
CID 55872469
6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide
CID 110022221
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide
CID 95317979
2-[4-(6-chloroquinoline-8-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55871061
2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide
CID 112821498
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
CID 18372562
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide
CID 87025092

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide (CID 87025093) is 6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide is CCN(CC)C(=O)c1ccc(CNC(=O)c2cc(Cl)cc3cccnc23)cc1.
What is the InChIKey of 6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide?
The InChIKey is ZQUQWIMUHZZXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-3-26(4-2)22(28)16-9-7-15(8-10-16)14-25-21(27)19-13-18(23)12-17-6-5-11-24-20(17)19/h5-13H,3-4,14H2,1-2H3,(H,25,27).
What are the key properties of 6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide?
6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 87025093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).