(1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

C21H18N4O2 — CID 10247811

IUPAC(1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O
InChIInChI=1S/C21H18N4O2/c1-12-19-24-17-9-5-3-7-15(17)21(27)25(19)18(20(26)23-12)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,26)/t12-,18-/m1/s1
InChIKeySUVZUTHVKIBYOH-KZULUSFZSA-N
MW358.40 g/mol
LogP2.85
Rot. Bonds2

About (1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

(1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 10247811) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is (1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name(1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID10247811
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name(1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O
InChIInChI=1S/C21H18N4O2/c1-12-19-24-17-9-5-3-7-15(17)21(27)25(19)18(20(26)23-12)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,26)/t12-,18-/m1/s1
InChIKeySUVZUTHVKIBYOH-KZULUSFZSA-N
XLogP2.85
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of (1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione (CID 10247811) is (1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for (1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for (1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione is C[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O.
What is the InChIKey of (1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is SUVZUTHVKIBYOH-KZULUSFZSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-12-19-24-17-9-5-3-7-15(17)21(27)25(19)18(20(26)23-12)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,26)/t12-,18-/m1/s1.
What are the key properties of (1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
(1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 358.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 10247811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).