N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C17H19BrN2O — CID 116784789

IUPACN-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cccc3cc(Br)cnc23)C1(C)C
InChIInChI=1S/C17H19BrN2O/c1-16(2)14(17(16,3)4)15(21)20-12-7-5-6-10-8-11(18)9-19-13(10)12/h5-9,14H,1-4H3,(H,20,21)
InChIKeyGMSFFNOXAKNSNZ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.62
Rot. Bonds2

About N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 116784789) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID116784789
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cccc3cc(Br)cnc23)C1(C)C
InChIInChI=1S/C17H19BrN2O/c1-16(2)14(17(16,3)4)15(21)20-12-7-5-6-10-8-11(18)9-19-13(10)12/h5-9,14H,1-4H3,(H,20,21)
InChIKeyGMSFFNOXAKNSNZ-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 116784745
N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide
CID 114825727
N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757
N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide
CID 116784684
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide
CID 116784376
N-(3-bromoquinolin-8-yl)-3-hydroxypyridine-2-carboxamide
CID 116784767
methyl 3-[(3-bromoquinolin-8-yl)carbamoyl]benzoate
CID 19592861
N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 116784420
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396
N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 116784693

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 116784789) is N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2cccc3cc(Br)cnc23)C1(C)C.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is GMSFFNOXAKNSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-16(2)14(17(16,3)4)15(21)20-12-7-5-6-10-8-11(18)9-19-13(10)12/h5-9,14H,1-4H3,(H,20,21).
What are the key properties of N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 347.26 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 116784789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).