N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C20H26N4O3 — CID 155497065

IUPACN-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)[C@H]1CN2C[C@H](NC(=O)Cn3cnc4ccccc4c3=O)C[C@H]2CO1
InChIInChI=1S/C20H26N4O3/c1-13(2)18-9-23-8-14(7-15(23)11-27-18)22-19(25)10-24-12-21-17-6-4-3-5-16(17)20(24)26/h3-6,12-15,18H,7-11H2,1-2H3,(H,22,25)/t14-,15+,18-/m1/s1
InChIKeySVBMIGWIZKVIIX-RVKKMQEKSA-N
MW370.45 g/mol
LogP1.01
Rot. Bonds4

About N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 155497065) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID155497065
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)[C@H]1CN2C[C@H](NC(=O)Cn3cnc4ccccc4c3=O)C[C@H]2CO1
InChIInChI=1S/C20H26N4O3/c1-13(2)18-9-23-8-14(7-15(23)11-27-18)22-19(25)10-24-12-21-17-6-4-3-5-16(17)20(24)26/h3-6,12-15,18H,7-11H2,1-2H3,(H,22,25)/t14-,15+,18-/m1/s1
InChIKeySVBMIGWIZKVIIX-RVKKMQEKSA-N
XLogP1.01
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide with MolForge

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Related Compounds

N-[(3S,7R,8aS)-3-(2-hydroxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 155494407
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-[(4aR,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 124877599
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841

Frequently Asked Questions

What is the IUPAC name of N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 155497065) is N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide is CC(C)[C@H]1CN2C[C@H](NC(=O)Cn3cnc4ccccc4c3=O)C[C@H]2CO1.
What is the InChIKey of N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SVBMIGWIZKVIIX-RVKKMQEKSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13(2)18-9-23-8-14(7-15(23)11-27-18)22-19(25)10-24-12-21-17-6-4-3-5-16(17)20(24)26/h3-6,12-15,18H,7-11H2,1-2H3,(H,22,25)/t14-,15+,18-/m1/s1.
What are the key properties of N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 155497065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).