(6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H14BrF2N3O — CID 166272761

IUPAC(6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCn1nc2cc(Br)ccc2c1C(=O)N1CCCc2c(F)ccc(F)c21
InChIInChI=1S/C18H14BrF2N3O/c1-23-17(12-5-4-10(19)9-15(12)22-23)18(25)24-8-2-3-11-13(20)6-7-14(21)16(11)24/h4-7,9H,2-3,8H2,1H3
InChIKeyIIKXNMIGMUAQLV-UHFFFAOYSA-N
MW406.23 g/mol
LogP4.21
Rot. Bonds1

About (6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

(6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 166272761) has the molecular formula C18H14BrF2N3O and a molecular weight of 406.23 g/mol. Its IUPAC name is (6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID166272761
Molecular FormulaC18H14BrF2N3O
Molecular Weight406.23 g/mol
Exact Mass405.03
IUPAC Name(6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCn1nc2cc(Br)ccc2c1C(=O)N1CCCc2c(F)ccc(F)c21
InChIInChI=1S/C18H14BrF2N3O/c1-23-17(12-5-4-10(19)9-15(12)22-23)18(25)24-8-2-3-11-13(20)6-7-14(21)16(11)24/h4-7,9H,2-3,8H2,1H3
InChIKeyIIKXNMIGMUAQLV-UHFFFAOYSA-N
XLogP4.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 166272761) is (6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is Cn1nc2cc(Br)ccc2c1C(=O)N1CCCc2c(F)ccc(F)c21.
What is the InChIKey of (6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is IIKXNMIGMUAQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF2N3O/c1-23-17(12-5-4-10(19)9-15(12)22-23)18(25)24-8-2-3-11-13(20)6-7-14(21)16(11)24/h4-7,9H,2-3,8H2,1H3.
What are the key properties of (6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
(6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 406.23 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 166272761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).