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

C21H20N3O+ — CID 135809567

IUPAC[(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESC[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C21H19N3O/c1-14(16-11-6-8-15-7-2-3-9-17(15)16)22-13-20-23-19-12-5-4-10-18(19)21(25)24-20/h2-12,14,22H,13H2,1H3,(H,23,24,25)/p+1/t14-/m0/s1
InChIKeyYWMFUVIRTMXOCB-AWEZNQCLSA-O
MW330.41 g/mol
LogP2.90
Rot. Bonds4

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

[(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135809567) has the molecular formula C21H20N3O+ and a molecular weight of 330.41 g/mol. Its IUPAC name is [(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135809567
Molecular FormulaC21H20N3O+
Molecular Weight330.41 g/mol
Exact Mass330.16
IUPAC Name[(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESC[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C21H19N3O/c1-14(16-11-6-8-15-7-2-3-9-17(15)16)22-13-20-23-19-12-5-4-10-18(19)21(25)24-20/h2-12,14,22H,13H2,1H3,(H,23,24,25)/p+1/t14-/m0/s1
InChIKeyYWMFUVIRTMXOCB-AWEZNQCLSA-O
XLogP2.90
TPSA62.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-naphthalen-1-ylethyl]-[(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
[(1S)-1-(furan-2-yl)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135751338
[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135809561
7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809554
(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]azanium
CID 135734956
2-(2-methylpentyl)-3H-quinazolin-4-one
CID 136798516
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135722510
2-[[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135909602
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135997910
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729615
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729617
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of [(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135809567) is [(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for [(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for [(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is C[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1cccc2ccccc12.
What is the InChIKey of [(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is YWMFUVIRTMXOCB-AWEZNQCLSA-O. The full InChI is InChI=1S/C21H19N3O/c1-14(16-11-6-8-15-7-2-3-9-17(15)16)22-13-20-23-19-12-5-4-10-18(19)21(25)24-20/h2-12,14,22H,13H2,1H3,(H,23,24,25)/p+1/t14-/m0/s1.
What are the key properties of [(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
[(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 330.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135809567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).