(2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one

C25H25N3O5S — CID 41083953

IUPAC(2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)N1C1CC1
InChIInChI=1S/C25H25N3O5S/c29-25-20-3-1-2-4-21(20)26-24(28(25)18-7-8-18)23-12-11-22(33-23)17-5-9-19(10-6-17)34(30,31)27-13-15-32-16-14-27/h1-6,9-12,18,24,26H,7-8,13-16H2/t24-/m1/s1
InChIKeyHMASWNUGSSDJCR-XMMPIXPASA-N
MW479.56 g/mol
LogP3.70
Rot. Bonds5

About (2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one

(2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 41083953) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is (2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
PubChem CID41083953
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name(2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)N1C1CC1
InChIInChI=1S/C25H25N3O5S/c29-25-20-3-1-2-4-21(20)26-24(28(25)18-7-8-18)23-12-11-22(33-23)17-5-9-19(10-6-17)34(30,31)27-13-15-32-16-14-27/h1-6,9-12,18,24,26H,7-8,13-16H2/t24-/m1/s1
InChIKeyHMASWNUGSSDJCR-XMMPIXPASA-N
XLogP3.70
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one
CID 3515071
ethyl (5R,6S)-4-methylidene-6-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-2-oxo-1,3-diazinane-5-carboxylate
CID 2421778
(2S)-3-cyclopropyl-2-(2,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008561
2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one
CID 4744926
1-[4-[5-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-yl]phenyl]sulfonylazepane
CID 50875581
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
(Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide
CID 2423978
(2R)-3-hydroxy-2-[5-(3-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 997738
4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine
CID 5081633
1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine
CID 168527732
2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3340504

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one (CID 41083953) is (2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)N1C1CC1.
What is the InChIKey of (2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The InChIKey is HMASWNUGSSDJCR-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25N3O5S/c29-25-20-3-1-2-4-21(20)26-24(28(25)18-7-8-18)23-12-11-22(33-23)17-5-9-19(10-6-17)34(30,31)27-13-15-32-16-14-27/h1-6,9-12,18,24,26H,7-8,13-16H2/t24-/m1/s1.
What are the key properties of (2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
(2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 479.56 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 41083953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).