methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate

C19H24N4O5S — CID 2488219

IUPACmethyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate
SMILESCCCCn1c(SCC(=O)NC(=O)NCC)nc2cc(C(=O)OC)ccc2c1=O
InChIInChI=1S/C19H24N4O5S/c1-4-6-9-23-16(25)13-8-7-12(17(26)28-3)10-14(13)21-19(23)29-11-15(24)22-18(27)20-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H2,20,22,24,27)
InChIKeyYPFRBQFFFSDOLJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.92
Rot. Bonds8

About methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate

methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate (PubChem CID 2488219) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate
PubChem CID2488219
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Namemethyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate
SMILESCCCCn1c(SCC(=O)NC(=O)NCC)nc2cc(C(=O)OC)ccc2c1=O
InChIInChI=1S/C19H24N4O5S/c1-4-6-9-23-16(25)13-8-7-12(17(26)28-3)10-14(13)21-19(23)29-11-15(24)22-18(27)20-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H2,20,22,24,27)
InChIKeyYPFRBQFFFSDOLJ-UHFFFAOYSA-N
XLogP1.92
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate with MolForge

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Related Compounds

methyl 2-[2-(2-acetylhydrazinyl)-2-oxoethyl]sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate
CID 7737925
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CID 2488188
methyl 3-butyl-4-oxo-2-(2-oxo-2-propan-2-yloxyethyl)sulfanylquinazoline-7-carboxylate
CID 7737932
N-(butylcarbamoyl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 27361380
methyl 3-butyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate
CID 7737955
methyl 2-[2-(butylamino)-2-oxoethyl]sulfanyl-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate
CID 4299699
methyl 3-butyl-4-oxo-2-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylquinazoline-7-carboxylate
CID 7737949
methyl 2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate
CID 7957592
N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
CID 7856771
N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774728
methyl 3-[(2R)-2-hydroxypropyl]-2-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate
CID 7848968
methyl 4-oxo-2-(2-oxopropylsulfanyl)-3-(2-phenylethyl)quinazoline-7-carboxylate
CID 7469138

Frequently Asked Questions

What is the IUPAC name of methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate?
The IUPAC name of methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate (CID 2488219) is methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate.
What is the SMILES notation for methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate?
The canonical SMILES for methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate is CCCCn1c(SCC(=O)NC(=O)NCC)nc2cc(C(=O)OC)ccc2c1=O.
What is the InChIKey of methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate?
The InChIKey is YPFRBQFFFSDOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-4-6-9-23-16(25)13-8-7-12(17(26)28-3)10-14(13)21-19(23)29-11-15(24)22-18(27)20-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H2,20,22,24,27).
What are the key properties of methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate?
methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-butyl-2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate is sourced from PubChem (CID 2488219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).