2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide

C25H30N4O3 — CID 55606279

IUPAC2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)CCC12C)c1cccc(C)c1
InChIInChI=1S/C25H30N4O3/c1-4-27(19-9-7-8-18(2)16-19)15-14-26-22(30)17-28-24(32)20-10-5-6-11-21(20)29-23(31)12-13-25(28,29)3/h5-11,16H,4,12-15,17H2,1-3H3,(H,26,30)
InChIKeyKRWXYVCBLAATGP-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.94
Rot. Bonds7

About 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide (PubChem CID 55606279) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
PubChem CID55606279
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)CCC12C)c1cccc(C)c1
InChIInChI=1S/C25H30N4O3/c1-4-27(19-9-7-8-18(2)16-19)15-14-26-22(30)17-28-24(32)20-10-5-6-11-21(20)29-23(31)12-13-25(28,29)3/h5-11,16H,4,12-15,17H2,1-3H3,(H,26,30)
InChIKeyKRWXYVCBLAATGP-UHFFFAOYSA-N
XLogP2.94
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55578058
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4-dimethylphenyl)acetamide
CID 55584564
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55908095
N-[2-[[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]amino]ethyl]-4-hydroxybenzamide
CID 55868464
2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 51937834
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]acetamide
CID 55723472
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-propylpropanamide
CID 46437673
methyl 4-[2-[[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]amino]ethyl]benzoate
CID 55608229
2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]acetic acid
CID 28819151
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 55578333
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 55609283
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]acetamide
CID 166416429

Frequently Asked Questions

What is the IUPAC name of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The IUPAC name of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide (CID 55606279) is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide is CCN(CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)CCC12C)c1cccc(C)c1.
What is the InChIKey of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The InChIKey is KRWXYVCBLAATGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-4-27(19-9-7-8-18(2)16-19)15-14-26-22(30)17-28-24(32)20-10-5-6-11-21(20)29-23(31)12-13-25(28,29)3/h5-11,16H,4,12-15,17H2,1-3H3,(H,26,30).
What are the key properties of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide is sourced from PubChem (CID 55606279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).