[2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate

C18H22N4O7 — CID 55471286

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
SMILESCNC(=O)NC(=O)COC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C18H22N4O7/c1-19-18(26)21-15(23)9-29-16(24)5-4-6-22-10-20-12-8-14(28-3)13(27-2)7-11(12)17(22)25/h7-8,10H,4-6,9H2,1-3H3,(H2,19,21,23,26)
InChIKeyPAMOSCDTRXTRAF-UHFFFAOYSA-N
MW406.40 g/mol
LogP0.19
Rot. Bonds8

About [2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate

[2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate (PubChem CID 55471286) has the molecular formula C18H22N4O7 and a molecular weight of 406.40 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
PubChem CID55471286
Molecular FormulaC18H22N4O7
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
SMILESCNC(=O)NC(=O)COC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C18H22N4O7/c1-19-18(26)21-15(23)9-29-16(24)5-4-6-22-10-20-12-8-14(28-3)13(27-2)7-11(12)17(22)25/h7-8,10H,4-6,9H2,1-3H3,(H2,19,21,23,26)
InChIKeyPAMOSCDTRXTRAF-UHFFFAOYSA-N
XLogP0.19
TPSA137.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate with MolForge

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Related Compounds

[2-(4-butylphenyl)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55471770
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55562250
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
(2,3,6-trimethylphenyl) 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 51476992
N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46558346
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide
CID 55566505
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55471462
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55498142
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55539580
ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 10735519

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate (CID 55471286) is [2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate is CNC(=O)NC(=O)COC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate?
The InChIKey is PAMOSCDTRXTRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O7/c1-19-18(26)21-15(23)9-29-16(24)5-4-6-22-10-20-12-8-14(28-3)13(27-2)7-11(12)17(22)25/h7-8,10H,4-6,9H2,1-3H3,(H2,19,21,23,26).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate has a molecular weight of 406.40 g/mol, XLogP of 0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate is sourced from PubChem (CID 55471286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).