N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide

C21H19N5O3 — CID 135819529

IUPACN-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C21H19N5O3/c1-29-11-10-26(13-19-24-15-7-3-2-6-14(15)20(27)25-19)21(28)18-12-22-16-8-4-5-9-17(16)23-18/h2-9,12H,10-11,13H2,1H3,(H,24,25,27)
InChIKeyVRWFBOVXIRBOSI-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.16
Rot. Bonds6

About N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide

N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide (PubChem CID 135819529) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide
PubChem CID135819529
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C21H19N5O3/c1-29-11-10-26(13-19-24-15-7-3-2-6-14(15)20(27)25-19)21(28)18-12-22-16-8-4-5-9-17(16)23-18/h2-9,12H,10-11,13H2,1H3,(H,24,25,27)
InChIKeyVRWFBOVXIRBOSI-UHFFFAOYSA-N
XLogP2.16
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-2-carboxamide
CID 135848512
N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135909619
N-(2-methoxyethyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propylpyridazine-3-carboxamide
CID 135877367
3-chloro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722249
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135665194
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135722240
N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135939332
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135842963
2-(2-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135722281
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135842965
5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135665198
2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 135768682

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide (CID 135819529) is N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide?
The InChIKey is VRWFBOVXIRBOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-29-11-10-26(13-19-24-15-7-3-2-6-14(15)20(27)25-19)21(28)18-12-22-16-8-4-5-9-17(16)23-18/h2-9,12H,10-11,13H2,1H3,(H,24,25,27).
What are the key properties of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide?
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 135819529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).