4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide

C21H19N3O4 — CID 167794067

IUPAC4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide
SMILESCOc1c(C(=O)NCCN2C(=O)COc3ccccc32)cnc2ccccc12
InChIInChI=1S/C21H19N3O4/c1-27-20-14-6-2-3-7-16(14)23-12-15(20)21(26)22-10-11-24-17-8-4-5-9-18(17)28-13-19(24)25/h2-9,12H,10-11,13H2,1H3,(H,22,26)
InChIKeyOPZALRNNEQNZMG-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.40
Rot. Bonds5

About 4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide

4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide (PubChem CID 167794067) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide
PubChem CID167794067
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide
SMILESCOc1c(C(=O)NCCN2C(=O)COc3ccccc32)cnc2ccccc12
InChIInChI=1S/C21H19N3O4/c1-27-20-14-6-2-3-7-16(14)23-12-15(20)21(26)22-10-11-24-17-8-4-5-9-18(17)28-13-19(24)25/h2-9,12H,10-11,13H2,1H3,(H,22,26)
InChIKeyOPZALRNNEQNZMG-UHFFFAOYSA-N
XLogP2.40
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166358779
2-(2-fluorophenyl)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729840
4-[3-(quinazolin-4-ylamino)propyl]-1,4-benzoxazin-3-one
CID 133330593
4-amino-5-chloro-2-methoxy-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]benzamide
CID 119800575
5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide
CID 166201804
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
CID 110729830
N-[(3,4-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17462579
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9210916
8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide
CID 166358753
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166358849
(E)-4-(dimethylamino)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]but-2-enamide
CID 146100935
2-(methylamino)-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]acetamide;hydrochloride
CID 119800548

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide (CID 167794067) is 4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide is COc1c(C(=O)NCCN2C(=O)COc3ccccc32)cnc2ccccc12.
What is the InChIKey of 4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide?
The InChIKey is OPZALRNNEQNZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-20-14-6-2-3-7-16(14)23-12-15(20)21(26)22-10-11-24-17-8-4-5-9-18(17)28-13-19(24)25/h2-9,12H,10-11,13H2,1H3,(H,22,26).
What are the key properties of 4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide?
4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 167794067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).