(2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C20H21BrN2O — CID 166343234

IUPAC(2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cc2c(cc1Br)CN(C(=O)c1ccc3c(c1)CC(N)C3)CC2
InChIInChI=1S/C20H21BrN2O/c1-12-6-14-4-5-23(11-17(14)10-19(12)21)20(24)15-3-2-13-8-18(22)9-16(13)7-15/h2-3,6-7,10,18H,4-5,8-9,11,22H2,1H3
InChIKeyCWGUFQADHXXZGS-UHFFFAOYSA-N
MW385.31 g/mol
LogP3.38
Rot. Bonds1

About (2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 166343234) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is (2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID166343234
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name(2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cc2c(cc1Br)CN(C(=O)c1ccc3c(c1)CC(N)C3)CC2
InChIInChI=1S/C20H21BrN2O/c1-12-6-14-4-5-23(11-17(14)10-19(12)21)20(24)15-3-2-13-8-18(22)9-16(13)7-15/h2-3,6-7,10,18H,4-5,8-9,11,22H2,1H3
InChIKeyCWGUFQADHXXZGS-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 166343234) is (2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is Cc1cc2c(cc1Br)CN(C(=O)c1ccc3c(c1)CC(N)C3)CC2.
What is the InChIKey of (2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is CWGUFQADHXXZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-12-6-14-4-5-23(11-17(14)10-19(12)21)20(24)15-3-2-13-8-18(22)9-16(13)7-15/h2-3,6-7,10,18H,4-5,8-9,11,22H2,1H3.
What are the key properties of (2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 385.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 166343234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).