dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium

C18H26N5O3S+ — CID 9374175

IUPACdimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCC[NH+](C)C
InChIInChI=1S/C18H25N5O3S/c1-12(15(24)21-17(26)19-2)27-18-20-14-9-6-5-8-13(14)16(25)23(18)11-7-10-22(3)4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H2,19,21,24,26)/p+1/t12-/m1/s1
InChIKeyUYFWQKRYVFZCBN-GFCCVEGCSA-O
MW392.51 g/mol
LogP-0.13
Rot. Bonds7

About dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium

dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium (PubChem CID 9374175) has the molecular formula C18H26N5O3S+ and a molecular weight of 392.51 g/mol. Its IUPAC name is dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium
PubChem CID9374175
Molecular FormulaC18H26N5O3S+
Molecular Weight392.51 g/mol
Exact Mass392.18
IUPAC Namedimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCC[NH+](C)C
InChIInChI=1S/C18H25N5O3S/c1-12(15(24)21-17(26)19-2)27-18-20-14-9-6-5-8-13(14)16(25)23(18)11-7-10-22(3)4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H2,19,21,24,26)/p+1/t12-/m1/s1
InChIKeyUYFWQKRYVFZCBN-GFCCVEGCSA-O
XLogP-0.13
TPSA97.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium
CID 9374232
dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium
CID 9374281
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(ethylcarbamoyl)propanamide
CID 2638542
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 46668535
3-[2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium
CID 7582777
(2S)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 2638620
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 4815367
(2S)-N-carbamoyl-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 2488502
(2R)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603417
(2S)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603418
(2S)-N-(methylcarbamoyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-2-phenylacetamide
CID 9329945
(2R)-N-carbamoyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465805

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium?
The IUPAC name of dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium (CID 9374175) is dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium.
What is the SMILES notation for dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium?
The canonical SMILES for dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium is CNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCC[NH+](C)C.
What is the InChIKey of dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium?
The InChIKey is UYFWQKRYVFZCBN-GFCCVEGCSA-O. The full InChI is InChI=1S/C18H25N5O3S/c1-12(15(24)21-17(26)19-2)27-18-20-14-9-6-5-8-13(14)16(25)23(18)11-7-10-22(3)4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H2,19,21,24,26)/p+1/t12-/m1/s1.
What are the key properties of dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium?
dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium has a molecular weight of 392.51 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium is sourced from PubChem (CID 9374175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).