N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide

C15H15BrN2O2 — CID 114825727

IUPACN-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2cccc3cc(Br)cnc23)CO1
InChIInChI=1S/C15H15BrN2O2/c1-9-5-11(8-20-9)15(19)18-13-4-2-3-10-6-12(16)7-17-14(10)13/h2-4,6-7,9,11H,5,8H2,1H3,(H,18,19)
InChIKeyZQAPNDKVNCUVRO-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.36
Rot. Bonds2

About N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide

N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide (PubChem CID 114825727) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide
PubChem CID114825727
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2cccc3cc(Br)cnc23)CO1
InChIInChI=1S/C15H15BrN2O2/c1-9-5-11(8-20-9)15(19)18-13-4-2-3-10-6-12(16)7-17-14(10)13/h2-4,6-7,9,11H,5,8H2,1H3,(H,18,19)
InChIKeyZQAPNDKVNCUVRO-UHFFFAOYSA-N
XLogP3.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 116784745
N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide
CID 116784684
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide
CID 114825721
N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide
CID 116784376
1-[(3-bromoquinolin-8-yl)carbamoyl]azetidine-3-carboxylic acid
CID 116785148
N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 166203525
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide
CID 102676297
N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 116784693
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide (CID 114825727) is N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)Nc2cccc3cc(Br)cnc23)CO1.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide?
The InChIKey is ZQAPNDKVNCUVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-5-11(8-20-9)15(19)18-13-4-2-3-10-6-12(16)7-17-14(10)13/h2-4,6-7,9,11H,5,8H2,1H3,(H,18,19).
What are the key properties of N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide?
N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114825727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).