N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide

C25H34N4O4 — CID 52518018

IUPACN-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)C1
InChIInChI=1S/C25H34N4O4/c1-17(2)23(32)26-15-18-7-6-13-27(16-18)21(30)11-14-28-24(33)19-8-4-5-9-20(19)29-22(31)10-12-25(28,29)3/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3,(H,26,32)/t18-,25-/m1/s1
InChIKeyNVESUVPOSRVWCX-IQGLISFBSA-N
MW454.57 g/mol
LogP2.39
Rot. Bonds6

About N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide

N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 52518018) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID52518018
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC NameN-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)C1
InChIInChI=1S/C25H34N4O4/c1-17(2)23(32)26-15-18-7-6-13-27(16-18)21(30)11-14-28-24(33)19-8-4-5-9-20(19)29-22(31)10-12-25(28,29)3/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3,(H,26,32)/t18-,25-/m1/s1
InChIKeyNVESUVPOSRVWCX-IQGLISFBSA-N
XLogP2.39
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide with MolForge

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Related Compounds

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-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 35218212
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(cyclohexylmethyl)acetamide
CID 75414434
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(cyclohex-3-en-1-ylmethyl)propanamide
CID 48874765
3a-methyl-4-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 55605110
4-[4-(2-azaspiro[5.5]undec-9-en-2-yl)-4-oxobutyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 86951799
4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 120820123
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 43072347
3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide
CID 37033006
4-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 55599977
4-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 95244146

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide (CID 52518018) is N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)C1.
What is the InChIKey of N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is NVESUVPOSRVWCX-IQGLISFBSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-17(2)23(32)26-15-18-7-6-13-27(16-18)21(30)11-14-28-24(33)19-8-4-5-9-20(19)29-22(31)10-12-25(28,29)3/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3,(H,26,32)/t18-,25-/m1/s1.
What are the key properties of N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 454.57 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[3-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]propanoyl]piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 52518018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).