[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium

C22H22N3O+ — CID 135809561

IUPAC[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@H](C)c1cccc2ccccc12)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H21N3O/c1-14(17-12-7-9-16-8-3-4-10-18(16)17)23-15(2)21-24-20-13-6-5-11-19(20)22(26)25-21/h3-15,23H,1-2H3,(H,24,25,26)/p+1/t14-,15+/m1/s1
InChIKeyVNANJZFVSMHIOC-CABCVRRESA-O
MW344.44 g/mol
LogP3.46
Rot. Bonds4

About [(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium

[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium (PubChem CID 135809561) has the molecular formula C22H22N3O+ and a molecular weight of 344.44 g/mol. Its IUPAC name is [(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
PubChem CID135809561
Molecular FormulaC22H22N3O+
Molecular Weight344.44 g/mol
Exact Mass344.18
IUPAC Name[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@H](C)c1cccc2ccccc12)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H21N3O/c1-14(17-12-7-9-16-8-3-4-10-18(16)17)23-15(2)21-24-20-13-6-5-11-19(20)22(26)25-21/h3-15,23H,1-2H3,(H,24,25,26)/p+1/t14-,15+/m1/s1
InChIKeyVNANJZFVSMHIOC-CABCVRRESA-O
XLogP3.46
TPSA62.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

[(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
[(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135751350
[(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
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135751447
[(R)-(4-methoxyphenyl)-phenylmethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135677079
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 135722504
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135751149
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] naphthalene-1-carboxylate
CID 135720127

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The IUPAC name of [(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium (CID 135809561) is [(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium.
What is the SMILES notation for [(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The canonical SMILES for [(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium is C[C@H]([NH2+][C@H](C)c1cccc2ccccc12)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The InChIKey is VNANJZFVSMHIOC-CABCVRRESA-O. The full InChI is InChI=1S/C22H21N3O/c1-14(17-12-7-9-16-8-3-4-10-18(16)17)23-15(2)21-24-20-13-6-5-11-19(20)22(26)25-21/h3-15,23H,1-2H3,(H,24,25,26)/p+1/t14-,15+/m1/s1.
What are the key properties of [(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium has a molecular weight of 344.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium is sourced from PubChem (CID 135809561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).