1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone

C20H16BrNO — CID 159509932

IUPAC1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)[C@H]1C[C@H]1c1cccc(Br)c1
InChIInChI=1S/C20H16BrNO/c21-16-8-2-5-14(10-16)17-12-18(17)19(23)11-15-6-1-4-13-7-3-9-22-20(13)15/h1-10,17-18H,11-12H2/t17-,18-/m0/s1
InChIKeyCOGHSRZKVRHRAR-ROUUACIJSA-N
MW366.26 g/mol
LogP4.91
Rot. Bonds4

About 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone

1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone (PubChem CID 159509932) has the molecular formula C20H16BrNO and a molecular weight of 366.26 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone.

Molecular Properties

Compound Name1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone
PubChem CID159509932
Molecular FormulaC20H16BrNO
Molecular Weight366.26 g/mol
Exact Mass365.04
IUPAC Name1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)[C@H]1C[C@H]1c1cccc(Br)c1
InChIInChI=1S/C20H16BrNO/c21-16-8-2-5-14(10-16)17-12-18(17)19(23)11-15-6-1-4-13-7-3-9-22-20(13)15/h1-10,17-18H,11-12H2/t17-,18-/m0/s1
InChIKeyCOGHSRZKVRHRAR-ROUUACIJSA-N
XLogP4.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-phenylcyclopropyl)-quinolin-8-ylmethanone
CID 115790655
cis-(1S,2R)-2-(3-bromophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 94801447
cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 120674754
2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid
CID 120533028
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185
cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide
CID 95303794
N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 55978468
N-(3,5-dimethylphenyl)-2-quinolin-8-ylacetamide
CID 51307005
1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide
CID 81428680
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
CID 94813050
2-(3-bromophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 49161707
1-phenyl-2-quinolin-8-ylethanone
CID 171934139

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone?
The IUPAC name of 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone (CID 159509932) is 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone.
What is the SMILES notation for 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone?
The canonical SMILES for 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone is O=C(Cc1cccc2cccnc12)[C@H]1C[C@H]1c1cccc(Br)c1.
What is the InChIKey of 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone?
The InChIKey is COGHSRZKVRHRAR-ROUUACIJSA-N. The full InChI is InChI=1S/C20H16BrNO/c21-16-8-2-5-14(10-16)17-12-18(17)19(23)11-15-6-1-4-13-7-3-9-22-20(13)15/h1-10,17-18H,11-12H2/t17-,18-/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone?
1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone has a molecular weight of 366.26 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone is sourced from PubChem (CID 159509932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).