N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide

C20H17N5O4 — CID 127254353

IUPACN-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOCCn1nnc2ccc(NC(=O)c3c[nH]c4ccccc4c3=O)cc2c1=O
InChIInChI=1S/C20H17N5O4/c1-29-9-8-25-20(28)14-10-12(6-7-17(14)23-24-25)22-19(27)15-11-21-16-5-3-2-4-13(16)18(15)26/h2-7,10-11H,8-9H2,1H3,(H,21,26)(H,22,27)
InChIKeyPAHRFCGVSYYAAM-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.53
Rot. Bonds5

About N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide

N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 127254353) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID127254353
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC NameN-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOCCn1nnc2ccc(NC(=O)c3c[nH]c4ccccc4c3=O)cc2c1=O
InChIInChI=1S/C20H17N5O4/c1-29-9-8-25-20(28)14-10-12(6-7-17(14)23-24-25)22-19(27)15-11-21-16-5-3-2-4-13(16)18(15)26/h2-7,10-11H,8-9H2,1H3,(H,21,26)(H,22,27)
InChIKeyPAHRFCGVSYYAAM-UHFFFAOYSA-N
XLogP1.53
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239830
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide
CID 121238954
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 60543842
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
N-(3,4-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905024
N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 66674873
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 66676066
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4907081
4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
CID 137464807
3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714437

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide (CID 127254353) is N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide is COCCn1nnc2ccc(NC(=O)c3c[nH]c4ccccc4c3=O)cc2c1=O.
What is the InChIKey of N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is PAHRFCGVSYYAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-29-9-8-25-20(28)14-10-12(6-7-17(14)23-24-25)22-19(27)15-11-21-16-5-3-2-4-13(16)18(15)26/h2-7,10-11H,8-9H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide?
N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 127254353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).