(4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone

C19H20N2O2 — CID 15712470

IUPAC(4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone
SMILESCOc1ccc2c3c1CC(N)CC3CN2C(=O)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-23-17-8-7-16-18-13(9-14(20)10-15(17)18)11-21(16)19(22)12-5-3-2-4-6-12/h2-8,13-14H,9-11,20H2,1H3
InChIKeyMXVGZLYKLREYMV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.71
Rot. Bonds2

About (4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone

(4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone (PubChem CID 15712470) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone
PubChem CID15712470
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone
SMILESCOc1ccc2c3c1CC(N)CC3CN2C(=O)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-23-17-8-7-16-18-13(9-14(20)10-15(17)18)11-21(16)19(22)12-5-3-2-4-6-12/h2-8,13-14H,9-11,20H2,1H3
InChIKeyMXVGZLYKLREYMV-UHFFFAOYSA-N
XLogP2.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone?
The IUPAC name of (4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone (CID 15712470) is (4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone.
What is the SMILES notation for (4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone?
The canonical SMILES for (4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone is COc1ccc2c3c1CC(N)CC3CN2C(=O)c1ccccc1.
What is the InChIKey of (4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone?
The InChIKey is MXVGZLYKLREYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-17-8-7-16-18-13(9-14(20)10-15(17)18)11-21(16)19(22)12-5-3-2-4-6-12/h2-8,13-14H,9-11,20H2,1H3.
What are the key properties of (4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone?
(4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone has a molecular weight of 308.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone is sourced from PubChem (CID 15712470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).