N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide

C23H29N3O2 — CID 166297981

IUPACN-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide
SMILESCc1cc2ccccc2nc1C(=O)N(C)C1CC(NC(=O)C2CC(C)(C)C2)C1
InChIInChI=1S/C23H29N3O2/c1-14-9-15-7-5-6-8-19(15)25-20(14)22(28)26(4)18-10-17(11-18)24-21(27)16-12-23(2,3)13-16/h5-9,16-18H,10-13H2,1-4H3,(H,24,27)
InChIKeyGYNRYVPZEDYBTA-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.70
Rot. Bonds4

About N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide

N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide (PubChem CID 166297981) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide
PubChem CID166297981
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide
SMILESCc1cc2ccccc2nc1C(=O)N(C)C1CC(NC(=O)C2CC(C)(C)C2)C1
InChIInChI=1S/C23H29N3O2/c1-14-9-15-7-5-6-8-19(15)25-20(14)22(28)26(4)18-10-17(11-18)24-21(27)16-12-23(2,3)13-16/h5-9,16-18H,10-13H2,1-4H3,(H,24,27)
InChIKeyGYNRYVPZEDYBTA-UHFFFAOYSA-N
XLogP3.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide?
The IUPAC name of N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide (CID 166297981) is N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide.
What is the SMILES notation for N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide?
The canonical SMILES for N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide is Cc1cc2ccccc2nc1C(=O)N(C)C1CC(NC(=O)C2CC(C)(C)C2)C1.
What is the InChIKey of N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide?
The InChIKey is GYNRYVPZEDYBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-14-9-15-7-5-6-8-19(15)25-20(14)22(28)26(4)18-10-17(11-18)24-21(27)16-12-23(2,3)13-16/h5-9,16-18H,10-13H2,1-4H3,(H,24,27).
What are the key properties of N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide?
N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,3-dimethylcyclobutanecarbonyl)amino]cyclobutyl]-N,3-dimethylquinoline-2-carboxamide is sourced from PubChem (CID 166297981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).