(2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C21H24N2O — CID 167750633

IUPAC(2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cc(C)c2c(c1)CCN(C(=O)c1ccc3c(c1)CC(N)C3)C2
InChIInChI=1S/C21H24N2O/c1-13-7-14(2)20-12-23(6-5-16(20)8-13)21(24)17-4-3-15-10-19(22)11-18(15)9-17/h3-4,7-9,19H,5-6,10-12,22H2,1-2H3
InChIKeyLVSAKTNXULKSKH-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.93
Rot. Bonds1

About (2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 167750633) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID167750633
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cc(C)c2c(c1)CCN(C(=O)c1ccc3c(c1)CC(N)C3)C2
InChIInChI=1S/C21H24N2O/c1-13-7-14(2)20-12-23(6-5-16(20)8-13)21(24)17-4-3-15-10-19(22)11-18(15)9-17/h3-4,7-9,19H,5-6,10-12,22H2,1-2H3
InChIKeyLVSAKTNXULKSKH-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

(2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 166343234
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 114523312
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 114523396
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone
CID 68590313
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
(4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 115771056
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211568
2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294064
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one
CID 158204388

Frequently Asked Questions

What is the IUPAC name of (2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 167750633) is (2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is Cc1cc(C)c2c(c1)CCN(C(=O)c1ccc3c(c1)CC(N)C3)C2.
What is the InChIKey of (2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is LVSAKTNXULKSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-13-7-14(2)20-12-23(6-5-16(20)8-13)21(24)17-4-3-15-10-19(22)11-18(15)9-17/h3-4,7-9,19H,5-6,10-12,22H2,1-2H3.
What are the key properties of (2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 320.44 g/mol, XLogP of 2.93, 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)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 167750633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).