N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide

C24H21N5O4 — CID 46952984

IUPACN-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide
SMILESCc1cc2ccccc2n2c(=O)n(CCNC(=O)CCc3nc4ccccc4oc3=O)nc12
InChIInChI=1S/C24H21N5O4/c1-15-14-16-6-2-4-8-19(16)29-22(15)27-28(24(29)32)13-12-25-21(30)11-10-18-23(31)33-20-9-5-3-7-17(20)26-18/h2-9,14H,10-13H2,1H3,(H,25,30)
InChIKeyJYRGWFDPOZBWBU-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide

N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide (PubChem CID 46952984) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide
PubChem CID46952984
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC NameN-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide
SMILESCc1cc2ccccc2n2c(=O)n(CCNC(=O)CCc3nc4ccccc4oc3=O)nc12
InChIInChI=1S/C24H21N5O4/c1-15-14-16-6-2-4-8-19(16)29-22(15)27-28(24(29)32)13-12-25-21(30)11-10-18-23(31)33-20-9-5-3-7-17(20)26-18/h2-9,14H,10-13H2,1H3,(H,25,30)
InChIKeyJYRGWFDPOZBWBU-UHFFFAOYSA-N
XLogP2.21
TPSA111.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide with MolForge

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Related Compounds

2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide
CID 46960284
N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46960299
2-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]acetamide
CID 98131745
N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46953007
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742757
N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205717
4,5-dichloro-N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-1,2-thiazole-3-carboxamide
CID 46952995
3-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 100510603
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205311
3-ethyl-1,4-benzoxazin-2-one
CID 86094198
N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680262
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118761451

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide?
The IUPAC name of N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide (CID 46952984) is N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide?
The canonical SMILES for N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide is Cc1cc2ccccc2n2c(=O)n(CCNC(=O)CCc3nc4ccccc4oc3=O)nc12.
What is the InChIKey of N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide?
The InChIKey is JYRGWFDPOZBWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-15-14-16-6-2-4-8-19(16)29-22(15)27-28(24(29)32)13-12-25-21(30)11-10-18-23(31)33-20-9-5-3-7-17(20)26-18/h2-9,14H,10-13H2,1H3,(H,25,30).
What are the key properties of N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide?
N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide has a molecular weight of 443.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-3-(2-oxo-1,4-benzoxazin-3-yl)propanamide is sourced from PubChem (CID 46952984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).