N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide

C18H19BrN4O2 — CID 166203525

IUPACN-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H19BrN4O2/c19-14-10-13-2-1-3-15(16(13)20-11-14)21-18(25)23-8-6-22(7-9-23)17(24)12-4-5-12/h1-3,10-12H,4-9H2,(H,21,25)
InChIKeyQAZFFTMXHXYQLT-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.08
Rot. Bonds2

About N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide

N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide (PubChem CID 166203525) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
PubChem CID166203525
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC NameN-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H19BrN4O2/c19-14-10-13-2-1-3-15(16(13)20-11-14)21-18(25)23-8-6-22(7-9-23)17(24)12-4-5-12/h1-3,10-12H,4-9H2,(H,21,25)
InChIKeyQAZFFTMXHXYQLT-UHFFFAOYSA-N
XLogP3.08
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromoquinolin-8-yl)carbamoyl]azetidine-3-carboxylic acid
CID 116785148
N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 116784745
N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide
CID 116784684
N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide
CID 114825727
N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide
CID 116784376
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396
N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757
N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide
CID 116784337

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide (CID 166203525) is N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide is O=C(Nc1cccc2cc(Br)cnc12)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide?
The InChIKey is QAZFFTMXHXYQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c19-14-10-13-2-1-3-15(16(13)20-11-14)21-18(25)23-8-6-22(7-9-23)17(24)12-4-5-12/h1-3,10-12H,4-9H2,(H,21,25).
What are the key properties of N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide?
N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 3.08, 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)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 166203525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).