1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide

C22H21N3O2 — CID 109044532

IUPAC1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C22H21N3O2/c26-21(24-18-7-1-2-8-18)16-10-12-17(13-11-16)22(27)25-19-9-3-5-15-6-4-14-23-20(15)19/h3-6,9-14,18H,1-2,7-8H2,(H,24,26)(H,25,27)
InChIKeyOCCHHULOOWTQTF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.16
Rot. Bonds4

About 1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide

1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide (PubChem CID 109044532) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
PubChem CID109044532
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C22H21N3O2/c26-21(24-18-7-1-2-8-18)16-10-12-17(13-11-16)22(27)25-19-9-3-5-15-6-4-14-23-20(15)19/h3-6,9-14,18H,1-2,7-8H2,(H,24,26)(H,25,27)
InChIKeyOCCHHULOOWTQTF-UHFFFAOYSA-N
XLogP4.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 51300002
1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108971914
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide
CID 39927304
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
CID 110765475
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
N-quinolin-8-yl-1H-indole-5-carboxamide
CID 110694998

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide (CID 109044532) is 1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide is O=C(Nc1cccc2cccnc12)c1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
The InChIKey is OCCHHULOOWTQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(24-18-7-1-2-8-18)16-10-12-17(13-11-16)22(27)25-19-9-3-5-15-6-4-14-23-20(15)19/h3-6,9-14,18H,1-2,7-8H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109044532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).