N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide

C16H18N2O2 — CID 114631332

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C16H18N2O2/c1-16(2)13(9-14(16)19)18-15(20)11-7-8-17-12-6-4-3-5-10(11)12/h3-8,13-14,19H,9H2,1-2H3,(H,18,20)
InChIKeyRMXBCIRIBKZSCA-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.12
Rot. Bonds2

About N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide (PubChem CID 114631332) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
PubChem CID114631332
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C16H18N2O2/c1-16(2)13(9-14(16)19)18-15(20)11-7-8-17-12-6-4-3-5-10(11)12/h3-8,13-14,19H,9H2,1-2H3,(H,18,20)
InChIKeyRMXBCIRIBKZSCA-UHFFFAOYSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629328
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid
CID 114628887
N-(4-ethynylcyclohexyl)quinoline-4-carboxamide
CID 174665969
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 107519435
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxybenzamide
CID 114630957
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide
CID 114631317
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoline-4-carboxamide
CID 135116985
N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride
CID 154922206
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-3-nitrobenzamide
CID 114630935
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide (CID 114631332) is N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide is CC1(C)C(O)CC1NC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide?
The InChIKey is RMXBCIRIBKZSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2)13(9-14(16)19)18-15(20)11-7-8-17-12-6-4-3-5-10(11)12/h3-8,13-14,19H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide is sourced from PubChem (CID 114631332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).