N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C22H23N3O4 — CID 51272559

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NC(C)c3ccc4c(c3)OCCO4)cnc12
InChIInChI=1S/C22H23N3O4/c1-14-4-3-5-17-21(14)23-13-25(22(17)27)9-8-20(26)24-15(2)16-6-7-18-19(12-16)29-11-10-28-18/h3-7,12-13,15H,8-11H2,1-2H3,(H,24,26)
InChIKeyRXCVUYTXPPIGDH-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.74
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 51272559) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID51272559
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NC(C)c3ccc4c(c3)OCCO4)cnc12
InChIInChI=1S/C22H23N3O4/c1-14-4-3-5-17-21(14)23-13-25(22(17)27)9-8-20(26)24-15(2)16-6-7-18-19(12-16)29-11-10-28-18/h3-7,12-13,15H,8-11H2,1-2H3,(H,24,26)
InChIKeyRXCVUYTXPPIGDH-UHFFFAOYSA-N
XLogP2.74
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 40876453
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 30805636
4-fluoro-N-[4-[1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]ethyl]phenyl]benzamide
CID 60538144
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 35246602
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 99974495
3-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 34467348
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51177619
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39394609
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 51177669
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119607074

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 51272559) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)NC(C)c3ccc4c(c3)OCCO4)cnc12.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is RXCVUYTXPPIGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-4-3-5-17-21(14)23-13-25(22(17)27)9-8-20(26)24-15(2)16-6-7-18-19(12-16)29-11-10-28-18/h3-7,12-13,15H,8-11H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 393.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 51272559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).