5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one

C23H26ClN5O2 — CID 73298570

IUPAC5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
SMILESCCOc1ccc2nc(NC3NC(=O)C(Cc4ccc(Cl)cc4)C(C)N3)nc(C)c2c1
InChIInChI=1S/C23H26ClN5O2/c1-4-31-17-9-10-20-18(12-17)13(2)25-22(27-20)29-23-26-14(3)19(21(30)28-23)11-15-5-7-16(24)8-6-15/h5-10,12,14,19,23,26H,4,11H2,1-3H3,(H,28,30)(H,25,27,29)
InChIKeyQSPFSTFREPSQLS-UHFFFAOYSA-N
MW439.95 g/mol
LogP3.65
Rot. Bonds6

About 5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one

5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one (PubChem CID 73298570) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
PubChem CID73298570
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
SMILESCCOc1ccc2nc(NC3NC(=O)C(Cc4ccc(Cl)cc4)C(C)N3)nc(C)c2c1
InChIInChI=1S/C23H26ClN5O2/c1-4-31-17-9-10-20-18(12-17)13(2)25-22(27-20)29-23-26-14(3)19(21(30)28-23)11-15-5-7-16(24)8-6-15/h5-10,12,14,19,23,26H,4,11H2,1-3H3,(H,28,30)(H,25,27,29)
InChIKeyQSPFSTFREPSQLS-UHFFFAOYSA-N
XLogP3.65
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one with MolForge

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Related Compounds

5-[(3-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
CID 73357951
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135659146
5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 73357984
2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one
CID 78211521
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
CID 73263282
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-6-one
CID 847326
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one
CID 780214
6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 73371704
6-ethoxy-4-methyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
CID 3695177
6-ethoxy-4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine
CID 7011751
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135895753
6-chloro-2-ethoxyacridin-9-amine
CID 71700026

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one (CID 73298570) is 5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one is CCOc1ccc2nc(NC3NC(=O)C(Cc4ccc(Cl)cc4)C(C)N3)nc(C)c2c1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one?
The InChIKey is QSPFSTFREPSQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-4-31-17-9-10-20-18(12-17)13(2)25-22(27-20)29-23-26-14(3)19(21(30)28-23)11-15-5-7-16(24)8-6-15/h5-10,12,14,19,23,26H,4,11H2,1-3H3,(H,28,30)(H,25,27,29).
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one?
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one has a molecular weight of 439.95 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 73298570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).