(4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate

C23H25N3O5 — CID 56586482

IUPAC(4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
SMILESCCn1c(=O)[nH]c2cc(C(=O)OCC3CN(Cc4ccccc4)CCO3)ccc2c1=O
InChIInChI=1S/C23H25N3O5/c1-2-26-21(27)19-9-8-17(12-20(19)24-23(26)29)22(28)31-15-18-14-25(10-11-30-18)13-16-6-4-3-5-7-16/h3-9,12,18H,2,10-11,13-15H2,1H3,(H,24,29)
InChIKeyBCSDDZDQCPGIQL-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.77
Rot. Bonds6

About (4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate

(4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate (PubChem CID 56586482) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
PubChem CID56586482
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name(4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
SMILESCCn1c(=O)[nH]c2cc(C(=O)OCC3CN(Cc4ccccc4)CCO3)ccc2c1=O
InChIInChI=1S/C23H25N3O5/c1-2-26-21(27)19-9-8-17(12-20(19)24-23(26)29)22(28)31-15-18-14-25(10-11-30-18)13-16-6-4-3-5-7-16/h3-9,12,18H,2,10-11,13-15H2,1H3,(H,24,29)
InChIKeyBCSDDZDQCPGIQL-UHFFFAOYSA-N
XLogP1.77
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate with MolForge

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Related Compounds

[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
(4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55479602
(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate
CID 56586442
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
(4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate
CID 55325638
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 55994336
[(2S)-4-benzylmorpholin-2-yl]methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 97240581
(4-ethylmorpholin-2-yl)methyl 3-amino-4-bromobenzoate
CID 79182900
(4-benzylmorpholin-2-yl)methyl 4-imidazol-1-yl-3-nitrobenzoate
CID 78765888
(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 84602301
ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride
CID 19983193

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
The IUPAC name of (4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate (CID 56586482) is (4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
The canonical SMILES for (4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate is CCn1c(=O)[nH]c2cc(C(=O)OCC3CN(Cc4ccccc4)CCO3)ccc2c1=O.
What is the InChIKey of (4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
The InChIKey is BCSDDZDQCPGIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-2-26-21(27)19-9-8-17(12-20(19)24-23(26)29)22(28)31-15-18-14-25(10-11-30-18)13-16-6-4-3-5-7-16/h3-9,12,18H,2,10-11,13-15H2,1H3,(H,24,29).
What are the key properties of (4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
(4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate is sourced from PubChem (CID 56586482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).