[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

C23H25N3O4 — CID 46649178

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc2c(=O)n(CC(=O)OCC(=O)N(Cc3ccccc3)C(C)C)cnc12
InChIInChI=1S/C23H25N3O4/c1-16(2)26(12-18-9-5-4-6-10-18)20(27)14-30-21(28)13-25-15-24-22-17(3)8-7-11-19(22)23(25)29/h4-11,15-16H,12-14H2,1-3H3
InChIKeyYSTSFYAZBSKROS-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.69
Rot. Bonds7

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (PubChem CID 46649178) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
PubChem CID46649178
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc2c(=O)n(CC(=O)OCC(=O)N(Cc3ccccc3)C(C)C)cnc12
InChIInChI=1S/C23H25N3O4/c1-16(2)26(12-18-9-5-4-6-10-18)20(27)14-30-21(28)13-25-15-24-22-17(3)8-7-11-19(22)23(25)29/h4-11,15-16H,12-14H2,1-3H3
InChIKeyYSTSFYAZBSKROS-UHFFFAOYSA-N
XLogP2.69
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995397
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
2-(8-methyl-4-oxoquinazolin-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 134032469
N-(2-aminoethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylethyl)acetamide
CID 120884912
N-benzyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 37428295
N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 27559502
[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938357
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27823117
N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 134016250
N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51270885

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (CID 46649178) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is Cc1cccc2c(=O)n(CC(=O)OCC(=O)N(Cc3ccccc3)C(C)C)cnc12.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The InChIKey is YSTSFYAZBSKROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16(2)26(12-18-9-5-4-6-10-18)20(27)14-30-21(28)13-25-15-24-22-17(3)8-7-11-19(22)23(25)29/h4-11,15-16H,12-14H2,1-3H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate has a molecular weight of 407.47 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 46649178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).