1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide

C19H21N3O2 — CID 108971914

IUPAC1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1cccc2cccnc12)C1(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H21N3O2/c23-17(21-14-7-1-2-8-14)19(10-11-19)18(24)22-15-9-3-5-13-6-4-12-20-16(13)15/h3-6,9,12,14H,1-2,7-8,10-11H2,(H,21,23)(H,22,24)
InChIKeyYGJOHSAOHDUVHB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.01
Rot. Bonds4

About 1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide

1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108971914) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
PubChem CID108971914
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1cccc2cccnc12)C1(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H21N3O2/c23-17(21-14-7-1-2-8-14)19(10-11-19)18(24)22-15-9-3-5-13-6-4-12-20-16(13)15/h3-6,9,12,14H,1-2,7-8,10-11H2,(H,21,23)(H,22,24)
InChIKeyYGJOHSAOHDUVHB-UHFFFAOYSA-N
XLogP3.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(1,1-dioxothiolan-3-yl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108978009
1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108982341
1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108979412
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983466
1-N-[2-(4-fluorophenyl)ethyl]-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108977537
1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972233
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
1-N-(3-cyanophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983729
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide (CID 108971914) is 1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide is O=C(Nc1cccc2cccnc12)C1(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is YGJOHSAOHDUVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-17(21-14-7-1-2-8-14)19(10-11-19)18(24)22-15-9-3-5-13-6-4-12-20-16(13)15/h3-6,9,12,14H,1-2,7-8,10-11H2,(H,21,23)(H,22,24).
What are the key properties of 1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).