4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one

C21H21N3O5 — CID 74224302

IUPAC4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCOC(COc2ncnc3ccccc23)C1
InChIInChI=1S/C21H21N3O5/c1-13-9-18(25)29-14(2)19(13)21(26)24-7-8-27-15(10-24)11-28-20-16-5-3-4-6-17(16)22-12-23-20/h3-6,9,12,15H,7-8,10-11H2,1-2H3
InChIKeyRLILDDNEGHHNFP-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.12
Rot. Bonds4

About 4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one

4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one (PubChem CID 74224302) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one
PubChem CID74224302
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCOC(COc2ncnc3ccccc23)C1
InChIInChI=1S/C21H21N3O5/c1-13-9-18(25)29-14(2)19(13)21(26)24-7-8-27-15(10-24)11-28-20-16-5-3-4-6-17(16)22-12-23-20/h3-6,9,12,15H,7-8,10-11H2,1-2H3
InChIKeyRLILDDNEGHHNFP-UHFFFAOYSA-N
XLogP2.12
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
CID 5008151
(5-butyl-2-pyridinyl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
CID 23987470
3-(3-bromo-4-fluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
CID 3855774
(6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
CID 3800574
3-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]propan-1-one
CID 3429619
N-[(2-fluorophenyl)methyl]-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide
CID 5016399
N-(1,3-benzodioxol-5-ylmethyl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide
CID 3372354
5-(azepane-1-carbonyl)-4,6-dimethylpyran-2-one
CID 918943
[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone
CID 3866501
1-[3,4-dimethoxy-2-[[4-(3-phenylcinnoline-4-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 6413219
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone
CID 4993456

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one?
The IUPAC name of 4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one (CID 74224302) is 4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one.
What is the SMILES notation for 4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one?
The canonical SMILES for 4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one is Cc1cc(=O)oc(C)c1C(=O)N1CCOC(COc2ncnc3ccccc23)C1.
What is the InChIKey of 4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one?
The InChIKey is RLILDDNEGHHNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-13-9-18(25)29-14(2)19(13)21(26)24-7-8-27-15(10-24)11-28-20-16-5-3-4-6-17(16)22-12-23-20/h3-6,9,12,15H,7-8,10-11H2,1-2H3.
What are the key properties of 4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one?
4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one has a molecular weight of 395.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one is sourced from PubChem (CID 74224302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).