2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide

C14H14BrN3O — CID 71913827

IUPAC2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1ccc2cccc(Br)c2n1)NC1CC1
InChIInChI=1S/C14H14BrN3O/c15-11-3-1-2-9-4-7-12(18-14(9)11)16-8-13(19)17-10-5-6-10/h1-4,7,10H,5-6,8H2,(H,16,18)(H,17,19)
InChIKeyCBOHQRZCRXBCRY-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.69
Rot. Bonds4

About 2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide

2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide (PubChem CID 71913827) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide
PubChem CID71913827
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1ccc2cccc(Br)c2n1)NC1CC1
InChIInChI=1S/C14H14BrN3O/c15-11-3-1-2-9-4-7-12(18-14(9)11)16-8-13(19)17-10-5-6-10/h1-4,7,10H,5-6,8H2,(H,16,18)(H,17,19)
InChIKeyCBOHQRZCRXBCRY-UHFFFAOYSA-N
XLogP2.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(naphthalen-1-ylamino)acetamide
CID 26506369
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568213
methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460234
1-(4-acetylpiperazin-1-yl)-3-[(8-bromoquinolin-2-yl)amino]propan-1-one
CID 133370407
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568215
N-cyclopropyl-2-[[2-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80793366
2-(4-bromo-2-carbamothioylanilino)-N-cyclopropylacetamide
CID 114891372
methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate
CID 66287042
(2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide
CID 125135862
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 115914667
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445

Frequently Asked Questions

What is the IUPAC name of 2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide (CID 71913827) is 2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide is O=C(CNc1ccc2cccc(Br)c2n1)NC1CC1.
What is the InChIKey of 2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide?
The InChIKey is CBOHQRZCRXBCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-11-3-1-2-9-4-7-12(18-14(9)11)16-8-13(19)17-10-5-6-10/h1-4,7,10H,5-6,8H2,(H,16,18)(H,17,19).
What are the key properties of 2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide?
2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide has a molecular weight of 320.19 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 71913827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).