(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone

C18H20BrN3O — CID 119402936

IUPAC(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N1CCNCC1
InChIInChI=1S/C18H20BrN3O/c1-11-16(18(23)22-8-6-20-7-9-22)14-10-13(19)4-5-15(14)21-17(11)12-2-3-12/h4-5,10,12,20H,2-3,6-9H2,1H3
InChIKeyMCVLWYONVVAGET-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.23
Rot. Bonds2

About (6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone

(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone (PubChem CID 119402936) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is (6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone
PubChem CID119402936
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N1CCNCC1
InChIInChI=1S/C18H20BrN3O/c1-11-16(18(23)22-8-6-20-7-9-22)14-10-13(19)4-5-15(14)21-17(11)12-2-3-12/h4-5,10,12,20H,2-3,6-9H2,1H3
InChIKeyMCVLWYONVVAGET-UHFFFAOYSA-N
XLogP3.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402935
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone
CID 124611882
6-bromo-N-(cyanomethyl)-2-cyclopropyl-3-methylquinoline-4-carboxamide
CID 71860124
N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide
CID 119629461
6-bromo-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid
CID 43121522
N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide
CID 119616555
6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid
CID 64918782
6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide
CID 166195468
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
(6-bromo-2-methylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635649
6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide
CID 119445544

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone (CID 119402936) is (6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone is Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N1CCNCC1.
What is the InChIKey of (6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone?
The InChIKey is MCVLWYONVVAGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-11-16(18(23)22-8-6-20-7-9-22)14-10-13(19)4-5-15(14)21-17(11)12-2-3-12/h4-5,10,12,20H,2-3,6-9H2,1H3.
What are the key properties of (6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone?
(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone has a molecular weight of 374.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 119402936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).