benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium

C25H26N3O+ — CID 7326981

IUPACbenzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium
SMILESCc1ccc(-n2c([C@@H](C)[NH2+]Cc3ccccc3)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C25H25N3O/c1-17-13-14-23(18(2)15-17)28-24(19(3)26-16-20-9-5-4-6-10-20)27-22-12-8-7-11-21(22)25(28)29/h4-15,19,26H,16H2,1-3H3/p+1/t19-/m1/s1
InChIKeyABMUTHSQQOOKKD-LJQANCHMSA-O
MW384.50 g/mol
LogP3.83
Rot. Bonds5

About benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium

benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium (PubChem CID 7326981) has the molecular formula C25H26N3O+ and a molecular weight of 384.50 g/mol. Its IUPAC name is benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium.

Molecular Properties

Compound Namebenzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium
PubChem CID7326981
Molecular FormulaC25H26N3O+
Molecular Weight384.50 g/mol
Exact Mass384.21
IUPAC Namebenzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium
SMILESCc1ccc(-n2c([C@@H](C)[NH2+]Cc3ccccc3)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C25H25N3O/c1-17-13-14-23(18(2)15-17)28-24(19(3)26-16-20-9-5-4-6-10-20)27-22-12-8-7-11-21(22)25(28)29/h4-15,19,26H,16H2,1-3H3/p+1/t19-/m1/s1
InChIKeyABMUTHSQQOOKKD-LJQANCHMSA-O
XLogP3.83
TPSA51.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium with MolForge

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Related Compounds

3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one
CID 42711270
N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42720540
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42719958
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbutanamide
CID 42719955
N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 7236971
N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42720542
2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 69101971
2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one
CID 3997986
3-benzyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42722246
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 42720157
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-propylbutanamide
CID 42720522
propan-2-yl 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 8857952

Frequently Asked Questions

What is the IUPAC name of benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium?
The IUPAC name of benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium (CID 7326981) is benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium.
What is the SMILES notation for benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium?
The canonical SMILES for benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium is Cc1ccc(-n2c([C@@H](C)[NH2+]Cc3ccccc3)nc3ccccc3c2=O)c(C)c1.
What is the InChIKey of benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium?
The InChIKey is ABMUTHSQQOOKKD-LJQANCHMSA-O. The full InChI is InChI=1S/C25H25N3O/c1-17-13-14-23(18(2)15-17)28-24(19(3)26-16-20-9-5-4-6-10-20)27-22-12-8-7-11-21(22)25(28)29/h4-15,19,26H,16H2,1-3H3/p+1/t19-/m1/s1.
What are the key properties of benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium?
benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium has a molecular weight of 384.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium is sourced from PubChem (CID 7326981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).