[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C21H20N3OS+ — CID 135722510

IUPAC[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCc1ccc([C@@H]([NH2+]Cc2nc3ccccc3c(=O)[nH]2)c2cccs2)cc1
InChIInChI=1S/C21H19N3OS/c1-14-8-10-15(11-9-14)20(18-7-4-12-26-18)22-13-19-23-17-6-3-2-5-16(17)21(25)24-19/h2-12,20,22H,13H2,1H3,(H,23,24,25)/p+1/t20-/m1/s1
InChIKeyOGBVGQCCSDZQJX-HXUWFJFHSA-O
MW362.48 g/mol
LogP3.15
Rot. Bonds5

About [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135722510) has the molecular formula C21H20N3OS+ and a molecular weight of 362.48 g/mol. Its IUPAC name is [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135722510
Molecular FormulaC21H20N3OS+
Molecular Weight362.48 g/mol
Exact Mass362.13
IUPAC Name[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCc1ccc([C@@H]([NH2+]Cc2nc3ccccc3c(=O)[nH]2)c2cccs2)cc1
InChIInChI=1S/C21H19N3OS/c1-14-8-10-15(11-9-14)20(18-7-4-12-26-18)22-13-19-23-17-6-3-2-5-16(17)21(25)24-19/h2-12,20,22H,13H2,1H3,(H,23,24,25)/p+1/t20-/m1/s1
InChIKeyOGBVGQCCSDZQJX-HXUWFJFHSA-O
XLogP3.15
TPSA62.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium with MolForge

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl-[(1S)-1-phenylethyl]azanium
CID 135612861
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729617
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729615
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 135722504
[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135751149
[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135751587
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 8867233
2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 136688103
[(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809567
[(R)-(4-methylphenyl)-phenylmethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135809535
[(1S)-1-(furan-2-yl)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135751338
(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8864831

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135722510) is [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is Cc1ccc([C@@H]([NH2+]Cc2nc3ccccc3c(=O)[nH]2)c2cccs2)cc1.
What is the InChIKey of [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is OGBVGQCCSDZQJX-HXUWFJFHSA-O. The full InChI is InChI=1S/C21H19N3OS/c1-14-8-10-15(11-9-14)20(18-7-4-12-26-18)22-13-19-23-17-6-3-2-5-16(17)21(25)24-19/h2-12,20,22H,13H2,1H3,(H,23,24,25)/p+1/t20-/m1/s1.
What are the key properties of [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 362.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135722510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).