3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one

C19H24N4O3 — CID 172658989

IUPAC3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)CC1CC2(CCNCC2)C(=O)O1
InChIInChI=1S/C19H24N4O3/c1-23(11-13-10-19(18(25)26-13)6-8-20-9-7-19)12-16-21-15-5-3-2-4-14(15)17(24)22-16/h2-5,13,20H,6-12H2,1H3,(H,21,22,24)
InChIKeyNSIBZDRVXRWPSX-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.04
Rot. Bonds4

About 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one

3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 172658989) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID172658989
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)CC1CC2(CCNCC2)C(=O)O1
InChIInChI=1S/C19H24N4O3/c1-23(11-13-10-19(18(25)26-13)6-8-20-9-7-19)12-16-21-15-5-3-2-4-14(15)17(24)22-16/h2-5,13,20H,6-12H2,1H3,(H,21,22,24)
InChIKeyNSIBZDRVXRWPSX-UHFFFAOYSA-N
XLogP1.04
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one with MolForge

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Related Compounds

3-[[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride
CID 172910767
2-[[1-adamantylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135799564
2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
CID 154924279
3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride
CID 172910012
3-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172657321
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135811807
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride
CID 137154638
2-[[(3-methylpyrrolidin-3-yl)methyl-propan-2-ylamino]methyl]-3H-quinazolin-4-one;hydrochloride
CID 137133495
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one (CID 172658989) is 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one is CN(Cc1nc2ccccc2c(=O)[nH]1)CC1CC2(CCNCC2)C(=O)O1.
What is the InChIKey of 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is NSIBZDRVXRWPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-23(11-13-10-19(18(25)26-13)6-8-20-9-7-19)12-16-21-15-5-3-2-4-14(15)17(24)22-16/h2-5,13,20H,6-12H2,1H3,(H,21,22,24).
What are the key properties of 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 172658989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).