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

C25H26FN3O3 — CID 42887466

IUPAC3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C25H26FN3O3/c1-25-14-12-23(31)29(25)21-9-5-3-7-19(21)24(32)28(25)15-13-22(30)27(18-10-11-18)16-17-6-2-4-8-20(17)26/h2-9,18H,10-16H2,1H3
InChIKeyRZOHSQJVBYYJFK-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.71
Rot. Bonds6

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

3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 42887466) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID42887466
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C25H26FN3O3/c1-25-14-12-23(31)29(25)21-9-5-3-7-19(21)24(32)28(25)15-13-22(30)27(18-10-11-18)16-17-6-2-4-8-20(17)26/h2-9,18H,10-16H2,1H3
InChIKeyRZOHSQJVBYYJFK-UHFFFAOYSA-N
XLogP3.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[2-(methoxymethyl)phenyl]propanamide
CID 55780273
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 55597120
N'-[4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)butanoyl]-2-fluorobenzohydrazide
CID 55604819
methyl 3-[3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)propanoyl-(2-methylpropyl)amino]propanoate
CID 55819396
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-(2,6-difluorophenyl)acetamide
CID 55604936
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
N-[(3S)-1-[3-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]-2-methylpropanamide
CID 52510440
N-[(3R)-1-[3-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]-2-methylpropanamide
CID 52510439
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(3-chloro-2-fluorophenyl)propanamide
CID 46597208

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-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide (CID 42887466) is 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide is CC12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is RZOHSQJVBYYJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-25-14-12-23(31)29(25)21-9-5-3-7-19(21)24(32)28(25)15-13-22(30)27(18-10-11-18)16-17-6-2-4-8-20(17)26/h2-9,18H,10-16H2,1H3.
What are the key properties of 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide?
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 435.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 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-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 42887466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).