(4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide

C19H21N3O4 — CID 137065770

IUPAC(4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)OC12CCCC2
InChIInChI=1S/C19H21N3O4/c1-22(11-15-20-14-7-3-2-6-12(14)17(24)21-15)18(25)13-10-16(23)26-19(13)8-4-5-9-19/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,20,21,24)/t13-/m0/s1
InChIKeyOISIDJYPPHNBTN-ZDUSSCGKSA-N
MW355.39 g/mol
LogP1.76
Rot. Bonds3

About (4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide

(4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 137065770) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID137065770
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)OC12CCCC2
InChIInChI=1S/C19H21N3O4/c1-22(11-15-20-14-7-3-2-6-12(14)17(24)21-15)18(25)13-10-16(23)26-19(13)8-4-5-9-19/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,20,21,24)/t13-/m0/s1
InChIKeyOISIDJYPPHNBTN-ZDUSSCGKSA-N
XLogP1.76
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide with MolForge

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Related Compounds

trans-(1S,3R)-N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropane-1-carboxamide
CID 135907141
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135599212
(2S)-4-acetyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 135893656
2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one
CID 137187410
N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131949916
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135625053
2-[[1-adamantylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135799564
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989
N-ethyl-2-(1-hydroxycyclopentyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136821194

Frequently Asked Questions

What is the IUPAC name of (4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of (4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide (CID 137065770) is (4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for (4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for (4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)OC12CCCC2.
What is the InChIKey of (4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is OISIDJYPPHNBTN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-22(11-15-20-14-7-3-2-6-12(14)17(24)21-15)18(25)13-10-16(23)26-19(13)8-4-5-9-19/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,20,21,24)/t13-/m0/s1.
What are the key properties of (4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
(4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 137065770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).