2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one

C25H24N4O5S — CID 135954921

IUPAC2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccccc2)nc2ccccc12
InChIInChI=1S/C25H24N4O5S/c30-25-20-8-4-5-9-21(20)27-24(28-25)17-26-22-16-19(35(31,32)29-12-14-33-15-13-29)10-11-23(22)34-18-6-2-1-3-7-18/h1-11,16,26H,12-15,17H2,(H,27,28,30)
InChIKeyPZVIRJQQGIYKDO-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.35
Rot. Bonds7

About 2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one

2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one (PubChem CID 135954921) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is 2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one
PubChem CID135954921
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC Name2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccccc2)nc2ccccc12
InChIInChI=1S/C25H24N4O5S/c30-25-20-8-4-5-9-21(20)27-24(28-25)17-26-22-16-19(35(31,32)29-12-14-33-15-13-29)10-11-23(22)34-18-6-2-1-3-7-18/h1-11,16,26H,12-15,17H2,(H,27,28,30)
InChIKeyPZVIRJQQGIYKDO-UHFFFAOYSA-N
XLogP3.35
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135893000
2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline
CID 112811153
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
CID 28579503
2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3H-quinazolin-4-one
CID 135849148
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)acetamide
CID 30994022
2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline
CID 112811144
N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077650
2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 136984258
2-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135781225
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875147
N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide
CID 154764510
2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3H-quinazolin-4-one
CID 135710760

Frequently Asked Questions

What is the IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one (CID 135954921) is 2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one is O=c1[nH]c(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one?
The InChIKey is PZVIRJQQGIYKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c30-25-20-8-4-5-9-21(20)27-24(28-25)17-26-22-16-19(35(31,32)29-12-14-33-15-13-29)10-11-23(22)34-18-6-2-1-3-7-18/h1-11,16,26H,12-15,17H2,(H,27,28,30).
What are the key properties of 2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one?
2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one has a molecular weight of 492.56 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-morpholin-4-ylsulfonyl-2-phenoxyanilino)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135954921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).