methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate

C20H19N3O4 — CID 22425302

IUPACmethyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3ccccc3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C20H19N3O4/c1-26-19(25)14-7-8-16-17(13-14)21-20(22-9-11-27-12-10-22)23(18(16)24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyKKGWAUUKAOZXOB-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate

methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate (PubChem CID 22425302) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
PubChem CID22425302
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3ccccc3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C20H19N3O4/c1-26-19(25)14-7-8-16-17(13-14)21-20(22-9-11-27-12-10-22)23(18(16)24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyKKGWAUUKAOZXOB-UHFFFAOYSA-N
XLogP2.01
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 53200436
methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 53200408
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
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 2-(azepan-1-yl)-3-(3-chlorophenyl)-4-oxoquinazoline-7-carboxylate
CID 53200410
methyl 3-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylquinazoline-7-carboxylate
CID 50840933
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
3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide
CID 46284880
methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 53200341
N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052297

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate?
The IUPAC name of methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate (CID 22425302) is methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate.
What is the SMILES notation for methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate?
The canonical SMILES for methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(N3CCOCC3)nc2c1.
What is the InChIKey of methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate?
The InChIKey is KKGWAUUKAOZXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-19(25)14-7-8-16-17(13-14)21-20(22-9-11-27-12-10-22)23(18(16)24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate?
methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate is sourced from PubChem (CID 22425302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).