(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate

C21H25N3O2 — CID 71453073

IUPAC(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc2c(c1)CN1CCc3ccccc3C1N2C
InChIInChI=1S/C21H25N3O2/c1-4-22(2)21(25)26-17-9-10-19-16(13-17)14-24-12-11-15-7-5-6-8-18(15)20(24)23(19)3/h5-10,13,20H,4,11-12,14H2,1-3H3
InChIKeyCUSAPAFCNUXGJO-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.64
Rot. Bonds2

About (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate

(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate (PubChem CID 71453073) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate
PubChem CID71453073
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc2c(c1)CN1CCc3ccccc3C1N2C
InChIInChI=1S/C21H25N3O2/c1-4-22(2)21(25)26-17-9-10-19-16(13-17)14-24-12-11-15-7-5-6-8-18(15)20(24)23(19)3/h5-10,13,20H,4,11-12,14H2,1-3H3
InChIKeyCUSAPAFCNUXGJO-UHFFFAOYSA-N
XLogP3.64
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate?
The IUPAC name of (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate (CID 71453073) is (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate.
What is the SMILES notation for (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate?
The canonical SMILES for (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1ccc2c(c1)CN1CCc3ccccc3C1N2C.
What is the InChIKey of (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate?
The InChIKey is CUSAPAFCNUXGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-22(2)21(25)26-17-9-10-19-16(13-17)14-24-12-11-15-7-5-6-8-18(15)20(24)23(19)3/h5-10,13,20H,4,11-12,14H2,1-3H3.
What are the key properties of (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate?
(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate has a molecular weight of 351.45 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-ethyl-N-methylcarbamate is sourced from PubChem (CID 71453073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).