methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate

C22H23N3O6 — CID 53200436

IUPACmethyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3cc(OC)cc(OC)c3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C22H23N3O6/c1-28-16-11-15(12-17(13-16)29-2)25-20(26)18-5-4-14(21(27)30-3)10-19(18)23-22(25)24-6-8-31-9-7-24/h4-5,10-13H,6-9H2,1-3H3
InChIKeySEIDECFJLSLVDP-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.03
Rot. Bonds5

About methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate

methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate (PubChem CID 53200436) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
PubChem CID53200436
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Namemethyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3cc(OC)cc(OC)c3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C22H23N3O6/c1-28-16-11-15(12-17(13-16)29-2)25-20(26)18-5-4-14(21(27)30-3)10-19(18)23-22(25)24-6-8-31-9-7-24/h4-5,10-13H,6-9H2,1-3H3
InChIKeySEIDECFJLSLVDP-UHFFFAOYSA-N
XLogP2.03
TPSA92.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 22425302
3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide
CID 46284880
methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 122174668
methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 50840907
methyl 3-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylquinazoline-7-carboxylate
CID 50840933
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 53200408
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052299
methyl 2-(azepan-1-yl)-3-(3-chlorophenyl)-4-oxoquinazoline-7-carboxylate
CID 53200410
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-4-oxoquinazoline-7-carboxylate
CID 53200367
methyl 3-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-4-oxoquinazoline-7-carboxylate
CID 53200415
methyl 3-(3,4-dimethylphenyl)-4-oxo-2-(1,3-thiazolidin-3-yl)quinazoline-7-carboxylate
CID 53200366

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate?
The IUPAC name of methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate (CID 53200436) is methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate.
What is the SMILES notation for methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate?
The canonical SMILES for methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)n(-c3cc(OC)cc(OC)c3)c(N3CCOCC3)nc2c1.
What is the InChIKey of methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate?
The InChIKey is SEIDECFJLSLVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-28-16-11-15(12-17(13-16)29-2)25-20(26)18-5-4-14(21(27)30-3)10-19(18)23-22(25)24-6-8-31-9-7-24/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate?
methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate has a molecular weight of 425.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate is sourced from PubChem (CID 53200436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).