N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide

C23H23N3O — CID 42794084

IUPACN-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide
SMILESO=C(c1ccc2ncccc2c1)N(Cc1cccnc1)CC1CC=CCC1
InChIInChI=1S/C23H23N3O/c27-23(21-10-11-22-20(14-21)9-5-13-25-22)26(16-18-6-2-1-3-7-18)17-19-8-4-12-24-15-19/h1-2,4-5,8-15,18H,3,6-7,16-17H2
InChIKeySULVIAGVLDURKO-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.63
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide (PubChem CID 42794084) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide
PubChem CID42794084
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide
SMILESO=C(c1ccc2ncccc2c1)N(Cc1cccnc1)CC1CC=CCC1
InChIInChI=1S/C23H23N3O/c27-23(21-10-11-22-20(14-21)9-5-13-25-22)26(16-18-6-2-1-3-7-18)17-19-8-4-12-24-15-19/h1-2,4-5,8-15,18H,3,6-7,16-17H2
InChIKeySULVIAGVLDURKO-UHFFFAOYSA-N
XLogP4.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide (CID 42794084) is N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide is O=C(c1ccc2ncccc2c1)N(Cc1cccnc1)CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide?
The InChIKey is SULVIAGVLDURKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(21-10-11-22-20(14-21)9-5-13-25-22)26(16-18-6-2-1-3-7-18)17-19-8-4-12-24-15-19/h1-2,4-5,8-15,18H,3,6-7,16-17H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide is sourced from PubChem (CID 42794084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).