(3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

C24H22N6O2 — CID 51959559

IUPAC(3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCc1nc2c3ccccc3nc(CCN3C(=O)c4ccccc4N4C(=O)CC[C@]34C)n2n1
InChIInChI=1S/C24H22N6O2/c1-15-25-22-16-7-3-5-9-18(16)26-20(30(22)27-15)12-14-28-23(32)17-8-4-6-10-19(17)29-21(31)11-13-24(28,29)2/h3-10H,11-14H2,1-2H3/t24-/m1/s1
InChIKeyMMTUUBZXGIMHAO-XMMPIXPASA-N
MW426.48 g/mol
LogP3.13
Rot. Bonds3

About (3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

(3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione (PubChem CID 51959559) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is (3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione.

Molecular Properties

Compound Name(3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
PubChem CID51959559
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name(3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCc1nc2c3ccccc3nc(CCN3C(=O)c4ccccc4N4C(=O)CC[C@]34C)n2n1
InChIInChI=1S/C24H22N6O2/c1-15-25-22-16-7-3-5-9-18(16)26-20(30(22)27-15)12-14-28-23(32)17-8-4-6-10-19(17)29-21(31)11-13-24(28,29)2/h3-10H,11-14H2,1-2H3/t24-/m1/s1
InChIKeyMMTUUBZXGIMHAO-XMMPIXPASA-N
XLogP3.13
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The IUPAC name of (3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione (CID 51959559) is (3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione.
What is the SMILES notation for (3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The canonical SMILES for (3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione is Cc1nc2c3ccccc3nc(CCN3C(=O)c4ccccc4N4C(=O)CC[C@]34C)n2n1.
What is the InChIKey of (3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The InChIKey is MMTUUBZXGIMHAO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22N6O2/c1-15-25-22-16-7-3-5-9-18(16)26-20(30(22)27-15)12-14-28-23(32)17-8-4-6-10-19(17)29-21(31)11-13-24(28,29)2/h3-10H,11-14H2,1-2H3/t24-/m1/s1.
What are the key properties of (3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
(3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione has a molecular weight of 426.48 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3a-methyl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione is sourced from PubChem (CID 51959559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).