4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide

C16H17N3O — CID 81427878

IUPAC4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCc2cccc3cccnc23)C1
InChIInChI=1S/C16H17N3O/c17-14-7-6-12(9-14)16(20)19-10-13-4-1-3-11-5-2-8-18-15(11)13/h1-8,12,14H,9-10,17H2,(H,19,20)
InChIKeyKIOFGSKMHRMFLM-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.75
Rot. Bonds3

About 4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 81427878) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide
PubChem CID81427878
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCc2cccc3cccnc23)C1
InChIInChI=1S/C16H17N3O/c17-14-7-6-12(9-14)16(20)19-10-13-4-1-3-11-5-2-8-18-15(11)13/h1-8,12,14H,9-10,17H2,(H,19,20)
InChIKeyKIOFGSKMHRMFLM-UHFFFAOYSA-N
XLogP1.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(quinolin-8-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119868757
3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119868760
(1R,2S,3S,4R)-3-(quinolin-8-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99773602
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
N-(quinolin-8-ylmethyl)azepane-2-carboxamide
CID 81427479
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 106417005
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide
CID 81428680
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide (CID 81427878) is 4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCc2cccc3cccnc23)C1.
What is the InChIKey of 4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is KIOFGSKMHRMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-14-7-6-12(9-14)16(20)19-10-13-4-1-3-11-5-2-8-18-15(11)13/h1-8,12,14H,9-10,17H2,(H,19,20).
What are the key properties of 4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 81427878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).