N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide

C19H20N4O5S — CID 7803373

IUPACN'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCOCCCn1c(SCC(=O)NNC(=O)c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C19H20N4O5S/c1-27-10-5-9-23-18(26)13-6-2-3-7-14(13)20-19(23)29-12-16(24)21-22-17(25)15-8-4-11-28-15/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyACWATZJMJMMZCR-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.58
Rot. Bonds8

About N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide

N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 7803373) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide
PubChem CID7803373
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCOCCCn1c(SCC(=O)NNC(=O)c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C19H20N4O5S/c1-27-10-5-9-23-18(26)13-6-2-3-7-14(13)20-19(23)29-12-16(24)21-22-17(25)15-8-4-11-28-15/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyACWATZJMJMMZCR-UHFFFAOYSA-N
XLogP1.58
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 2610566
N-[4-[[2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3181449
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2276278
N-(3,4-dichlorophenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41059574
N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42982505
N-(4-cyanophenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7803428
N-[4-[(2S)-butan-2-yl]phenyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41059664
N'-[2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 7815565
3-(3-methoxypropyl)-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one
CID 5199801
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16512335
N-(3-cyanothiophen-2-yl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7803359
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 2610706

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide (CID 7803373) is N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide is COCCCn1c(SCC(=O)NNC(=O)c2ccco2)nc2ccccc2c1=O.
What is the InChIKey of N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is ACWATZJMJMMZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-27-10-5-9-23-18(26)13-6-2-3-7-14(13)20-19(23)29-12-16(24)21-22-17(25)15-8-4-11-28-15/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 416.46 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 7803373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).