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

C19H22N3O+ — CID 135808777

IUPACmethyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
SMILESCc1ccc(C[NH+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N3O/c1-13-8-10-15(11-9-13)12-22(3)14(2)18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11,14H,12H2,1-3H3,(H,20,21,23)/p+1/t14-/m0/s1
InChIKeyVQFRNTCFJNXPBC-AWEZNQCLSA-O
MW308.41 g/mol
LogP2.01
Rot. Bonds4

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

methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium (PubChem CID 135808777) has the molecular formula C19H22N3O+ and a molecular weight of 308.41 g/mol. Its IUPAC name is methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
PubChem CID135808777
Molecular FormulaC19H22N3O+
Molecular Weight308.41 g/mol
Exact Mass308.18
IUPAC Namemethyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
SMILESCc1ccc(C[NH+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N3O/c1-13-8-10-15(11-9-13)12-22(3)14(2)18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11,14H,12H2,1-3H3,(H,20,21,23)/p+1/t14-/m0/s1
InChIKeyVQFRNTCFJNXPBC-AWEZNQCLSA-O
XLogP2.01
TPSA50.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135808862
(5-chlorothiophen-2-yl)methyl-methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135811804
[(R)-(4-methylphenyl)-phenylmethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135809535
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
2-[(1S)-1-[[(S)-(4-methylphenyl)-phenylmethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809538
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135722476
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 135745593
methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135729573
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
[(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

Frequently Asked Questions

What is the IUPAC name of methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The IUPAC name of methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium (CID 135808777) is methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium.
What is the SMILES notation for methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The canonical SMILES for methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium is Cc1ccc(C[NH+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The InChIKey is VQFRNTCFJNXPBC-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H21N3O/c1-13-8-10-15(11-9-13)12-22(3)14(2)18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11,14H,12H2,1-3H3,(H,20,21,23)/p+1/t14-/m0/s1.
What are the key properties of methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium has a molecular weight of 308.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium is sourced from PubChem (CID 135808777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).