[7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate

C23H33N3O6 — CID 22624922

IUPAC[7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate
SMILESCOc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCN(C)C(=O)C(C)(C)C
InChIInChI=1S/C23H33N3O6/c1-22(2,3)20(28)25(7)9-10-31-18-12-16-15(11-17(18)30-8)19(27)26(13-24-16)14-32-21(29)23(4,5)6/h11-13H,9-10,14H2,1-8H3
InChIKeyPHFBBPOPQZPDNM-UHFFFAOYSA-N
MW447.53 g/mol
LogP2.84
Rot. Bonds7

About [7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate

[7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate (PubChem CID 22624922) has the molecular formula C23H33N3O6 and a molecular weight of 447.53 g/mol. Its IUPAC name is [7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate
PubChem CID22624922
Molecular FormulaC23H33N3O6
Molecular Weight447.53 g/mol
Exact Mass447.24
IUPAC Name[7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate
SMILESCOc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCN(C)C(=O)C(C)(C)C
InChIInChI=1S/C23H33N3O6/c1-22(2,3)20(28)25(7)9-10-31-18-12-16-15(11-17(18)30-8)19(27)26(13-24-16)14-32-21(29)23(4,5)6/h11-13H,9-10,14H2,1-8H3
InChIKeyPHFBBPOPQZPDNM-UHFFFAOYSA-N
XLogP2.84
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate (CID 22624922) is [7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate is COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCN(C)C(=O)C(C)(C)C.
What is the InChIKey of [7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is PHFBBPOPQZPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O6/c1-22(2,3)20(28)25(7)9-10-31-18-12-16-15(11-17(18)30-8)19(27)26(13-24-16)14-32-21(29)23(4,5)6/h11-13H,9-10,14H2,1-8H3.
What are the key properties of [7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate?
[7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 447.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 22624922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).