7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide

C16H18N2O2 — CID 176988893

IUPAC7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(c2ccc3cc(C(N)=O)c(=O)[nH]c3c2)C1
InChIInChI=1S/C16H18N2O2/c1-16(2)7-11(8-16)9-3-4-10-5-12(14(17)19)15(20)18-13(10)6-9/h3-6,11H,7-8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyHPEMCOKAHDSKLV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.53
Rot. Bonds2

About 7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide

7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 176988893) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID176988893
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(c2ccc3cc(C(N)=O)c(=O)[nH]c3c2)C1
InChIInChI=1S/C16H18N2O2/c1-16(2)7-11(8-16)9-3-4-10-5-12(14(17)19)15(20)18-13(10)6-9/h3-6,11H,7-8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyHPEMCOKAHDSKLV-UHFFFAOYSA-N
XLogP2.53
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide (CID 176988893) is 7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide is CC1(C)CC(c2ccc3cc(C(N)=O)c(=O)[nH]c3c2)C1.
What is the InChIKey of 7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is HPEMCOKAHDSKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2)7-11(8-16)9-3-4-10-5-12(14(17)19)15(20)18-13(10)6-9/h3-6,11H,7-8H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide?
7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 176988893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).