2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

C18H23N4O2S+ — CID 3561846

IUPAC2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2cccs2)Cc2nc(NCC[NH+]3CCOCC3)ncc21
InChIInChI=1S/C18H22N4O2S/c23-16-11-13(17-2-1-9-25-17)10-15-14(16)12-20-18(21-15)19-3-4-22-5-7-24-8-6-22/h1-2,9,12-13H,3-8,10-11H2,(H,19,20,21)/p+1
InChIKeyLBABILQJVDVTTG-UHFFFAOYSA-O
MW359.48 g/mol
LogP0.78
Rot. Bonds5

About 2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3561846) has the molecular formula C18H23N4O2S+ and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3561846
Molecular FormulaC18H23N4O2S+
Molecular Weight359.48 g/mol
Exact Mass359.15
IUPAC Name2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2cccs2)Cc2nc(NCC[NH+]3CCOCC3)ncc21
InChIInChI=1S/C18H22N4O2S/c23-16-11-13(17-2-1-9-25-17)10-15-14(16)12-20-18(21-15)19-3-4-22-5-7-24-8-6-22/h1-2,9,12-13H,3-8,10-11H2,(H,19,20,21)/p+1
InChIKeyLBABILQJVDVTTG-UHFFFAOYSA-O
XLogP0.78
TPSA68.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Launch Full Analysis

Related Compounds

N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide
CID 3815508
2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 16584542
1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea
CID 7731993
(7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 1491982
(7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 1399618
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 713042
(7S)-7-(3,5-difluorophenyl)-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 29044438
(7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 2026060
(7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 7342667
(7S)-2-(butylamino)-7-[4-(dimethylamino)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 7342549
2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584123
(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 2042847

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (CID 3561846) is 2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2cccs2)Cc2nc(NCC[NH+]3CCOCC3)ncc21.
What is the InChIKey of 2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LBABILQJVDVTTG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N4O2S/c23-16-11-13(17-2-1-9-25-17)10-15-14(16)12-20-18(21-15)19-3-4-22-5-7-24-8-6-22/h1-2,9,12-13H,3-8,10-11H2,(H,19,20,21)/p+1.
What are the key properties of 2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 359.48 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3561846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).