[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium

C21H20N3OS+ — CID 135722504

IUPAC[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
SMILESC[C@H]([NH2+][C@H](c1ccccc1)c1cccs1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H19N3OS/c1-14(20-23-17-11-6-5-10-16(17)21(25)24-20)22-19(18-12-7-13-26-18)15-8-3-2-4-9-15/h2-14,19,22H,1H3,(H,23,24,25)/p+1/t14-,19+/m0/s1
InChIKeyUAGWYCQITNMCMW-IFXJQAMLSA-O
MW362.48 g/mol
LogP3.40
Rot. Bonds5

About [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium

[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium (PubChem CID 135722504) has the molecular formula C21H20N3OS+ and a molecular weight of 362.48 g/mol. Its IUPAC name is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
PubChem CID135722504
Molecular FormulaC21H20N3OS+
Molecular Weight362.48 g/mol
Exact Mass362.13
IUPAC Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
SMILESC[C@H]([NH2+][C@H](c1ccccc1)c1cccs1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H19N3OS/c1-14(20-23-17-11-6-5-10-16(17)21(25)24-20)22-19(18-12-7-13-26-18)15-8-3-2-4-9-15/h2-14,19,22H,1H3,(H,23,24,25)/p+1/t14-,19+/m0/s1
InChIKeyUAGWYCQITNMCMW-IFXJQAMLSA-O
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium with MolForge

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Related Compounds

[(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)-phenylmethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135809535
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(1R)-1-phenylethyl]azanium
CID 135612855
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(1S)-1-phenylethyl]azanium
CID 135612853
[(R)-(4-methoxyphenyl)-phenylmethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135677079
2-[(1S)-1-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-3H-quinazolin-4-one
CID 135722505
[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135809561
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135722510
[(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135751350
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135751447
2-[(1S)-1-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751150

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium (CID 135722504) is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium.
What is the SMILES notation for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The canonical SMILES for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium is C[C@H]([NH2+][C@H](c1ccccc1)c1cccs1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The InChIKey is UAGWYCQITNMCMW-IFXJQAMLSA-O. The full InChI is InChI=1S/C21H19N3OS/c1-14(20-23-17-11-6-5-10-16(17)21(25)24-20)22-19(18-12-7-13-26-18)15-8-3-2-4-9-15/h2-14,19,22H,1H3,(H,23,24,25)/p+1/t14-,19+/m0/s1.
What are the key properties of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium has a molecular weight of 362.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium is sourced from PubChem (CID 135722504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).