5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide

C23H33N5O4 — CID 136520581

IUPAC5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide
SMILESCCN(CCC(=O)NCC1CCC(C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1
InChIInChI=1S/C23H33N5O4/c1-5-28(14-19-25-21-15(2)7-6-8-17(21)22(30)26-19)12-11-20(29)24-13-16-9-10-18(32-16)23(31)27(3)4/h6-8,16,18H,5,9-14H2,1-4H3,(H,24,29)(H,25,26,30)
InChIKeyCKUJFLKQVIRCOB-UHFFFAOYSA-N
MW443.55 g/mol
LogP1.20
Rot. Bonds9

About 5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide

5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide (PubChem CID 136520581) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide
PubChem CID136520581
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC Name5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide
SMILESCCN(CCC(=O)NCC1CCC(C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1
InChIInChI=1S/C23H33N5O4/c1-5-28(14-19-25-21-15(2)7-6-8-17(21)22(30)26-19)12-11-20(29)24-13-16-9-10-18(32-16)23(31)27(3)4/h6-8,16,18H,5,9-14H2,1-4H3,(H,24,29)(H,25,26,30)
InChIKeyCKUJFLKQVIRCOB-UHFFFAOYSA-N
XLogP1.20
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid
CID 135966774
N-(2,6-dimethylphenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808330
2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
(2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 97256959
2-[[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 138697344
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-8-methyl-3H-quinazolin-4-one
CID 136952861
5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
CID 120874052
2-(cyclobutylmethylsulfanylmethyl)-8-methyl-3H-quinazolin-4-one
CID 159857248
(2S,5R)-5-[[[2-(2,5-difluorophenyl)acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 97333491
N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808460
8-methyl-2-pentyl-3H-quinazolin-4-one
CID 137279746

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide?
The IUPAC name of 5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide (CID 136520581) is 5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide.
What is the SMILES notation for 5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide?
The canonical SMILES for 5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide is CCN(CCC(=O)NCC1CCC(C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1.
What is the InChIKey of 5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide?
The InChIKey is CKUJFLKQVIRCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4/c1-5-28(14-19-25-21-15(2)7-6-8-17(21)22(30)26-19)12-11-20(29)24-13-16-9-10-18(32-16)23(31)27(3)4/h6-8,16,18H,5,9-14H2,1-4H3,(H,24,29)(H,25,26,30).
What are the key properties of 5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide?
5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 136520581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).