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

C25H29N3O4 — CID 46438356

IUPAC3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
SMILESCc1ccccc1OCCN(C)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CCC12C
InChIInChI=1S/C25H29N3O4/c1-18-8-4-7-11-21(18)32-17-16-26(3)22(29)13-15-27-24(31)19-9-5-6-10-20(19)28-23(30)12-14-25(27,28)2/h4-11H,12-17H2,1-3H3
InChIKeyPPTKYKQCANYYAM-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.22
Rot. Bonds7

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

3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide (PubChem CID 46438356) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
PubChem CID46438356
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
SMILESCc1ccccc1OCCN(C)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CCC12C
InChIInChI=1S/C25H29N3O4/c1-18-8-4-7-11-21(18)32-17-16-26(3)22(29)13-15-27-24(31)19-9-5-6-10-20(19)28-23(30)12-14-25(27,28)2/h4-11H,12-17H2,1-3H3
InChIKeyPPTKYKQCANYYAM-UHFFFAOYSA-N
XLogP3.22
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
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-(2-methylphenoxy)ethyl]acetamide
CID 55908095
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 43062896
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-benzyl-N-butan-2-ylpropanamide
CID 46597312
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-propylpropanamide
CID 46437673
4-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 52638177
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979557
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-[(2R)-6-methylheptan-2-yl]propanamide
CID 51872736
4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 78860004
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4-dimethylphenyl)acetamide
CID 55584564
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-ethylsulfonylphenyl)propanamide
CID 55612952

Frequently Asked Questions

What is the IUPAC name of 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide?
The IUPAC name of 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide (CID 46438356) is 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide is Cc1ccccc1OCCN(C)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CCC12C.
What is the InChIKey of 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide?
The InChIKey is PPTKYKQCANYYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-18-8-4-7-11-21(18)32-17-16-26(3)22(29)13-15-27-24(31)19-9-5-6-10-20(19)28-23(30)12-14-25(27,28)2/h4-11H,12-17H2,1-3H3.
What are the key properties of 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide?
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide has a molecular weight of 435.52 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 46438356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).