1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone

C17H20N4O3 — CID 110436947

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone
SMILESO=C(CNc1ncnc2ccccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H20N4O3/c22-15(21-7-5-17(6-8-21)23-9-10-24-17)11-18-16-13-3-1-2-4-14(13)19-12-20-16/h1-4,12H,5-11H2,(H,18,19,20)
InChIKeyVVBATKBBUCXRCF-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.41
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone (PubChem CID 110436947) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone
PubChem CID110436947
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone
SMILESO=C(CNc1ncnc2ccccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H20N4O3/c22-15(21-7-5-17(6-8-21)23-9-10-24-17)11-18-16-13-3-1-2-4-14(13)19-12-20-16/h1-4,12H,5-11H2,(H,18,19,20)
InChIKeyVVBATKBBUCXRCF-UHFFFAOYSA-N
XLogP1.41
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone with MolForge

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Related Compounds

1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 109003341
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-phenylethylamino)ethanone
CID 108999897
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 109003276
1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane
CID 178127443
2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid
CID 21002376
N-(2-methylpropyl)-2-(quinazolin-4-ylamino)acetamide
CID 49226597
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 53144428
methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate
CID 109003312
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propane-1,3-dione
CID 108949990
1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone
CID 178127178

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone (CID 110436947) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone is O=C(CNc1ncnc2ccccc12)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone?
The InChIKey is VVBATKBBUCXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-15(21-7-5-17(6-8-21)23-9-10-24-17)11-18-16-13-3-1-2-4-14(13)19-12-20-16/h1-4,12H,5-11H2,(H,18,19,20).
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone has a molecular weight of 328.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone is sourced from PubChem (CID 110436947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).