2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide

C24H27N3O6 — CID 166633689

IUPAC2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)NCC4CCOCC4)cc3)nc2c1
InChIInChI=1S/C24H27N3O6/c1-30-18-11-19-22(20(12-18)31-2)24(29)27-23(26-19)16-3-5-17(6-4-16)33-14-21(28)25-13-15-7-9-32-10-8-15/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyPYADGZOWAYAPAA-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.53
Rot. Bonds8

About 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide

2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 166633689) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide
PubChem CID166633689
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Name2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)NCC4CCOCC4)cc3)nc2c1
InChIInChI=1S/C24H27N3O6/c1-30-18-11-19-22(20(12-18)31-2)24(29)27-23(26-19)16-3-5-17(6-4-16)33-14-21(28)25-13-15-7-9-32-10-8-15/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyPYADGZOWAYAPAA-UHFFFAOYSA-N
XLogP2.53
TPSA111.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide
CID 171340353
N-(3-chloro-4-morpholin-4-ylphenyl)-2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide
CID 166630869
N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide
CID 135939097
N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide
CID 174654241
3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide
CID 136611317
5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 166629023
2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 71737015
2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethoxyphenoxy]ethyl N-(4-fluorophenyl)carbamate
CID 142764227
2-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 135939108
3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16762540
2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 136593458
3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]propane-1-sulfonic acid
CID 136501064

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide (CID 166633689) is 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide is COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)NCC4CCOCC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is PYADGZOWAYAPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-30-18-11-19-22(20(12-18)31-2)24(29)27-23(26-19)16-3-5-17(6-4-16)33-14-21(28)25-13-15-7-9-32-10-8-15/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,25,28)(H,26,27,29).
What are the key properties of 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide?
2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 453.50 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 166633689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).