N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C22H19N3O4 — CID 110619629

IUPACN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc2cc(CCNC(=O)c3cc(-c4ccccc4)on3)c(=O)[nH]c2c1
InChIInChI=1S/C22H19N3O4/c1-28-17-8-7-15-11-16(21(26)24-18(15)12-17)9-10-23-22(27)19-13-20(29-25-19)14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,23,27)(H,24,26)
InChIKeyREURNVBIFKTQQZ-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110619629) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110619629
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc2cc(CCNC(=O)c3cc(-c4ccccc4)on3)c(=O)[nH]c2c1
InChIInChI=1S/C22H19N3O4/c1-28-17-8-7-15-11-16(21(26)24-18(15)12-17)9-10-23-22(27)19-13-20(29-25-19)14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,23,27)(H,24,26)
InChIKeyREURNVBIFKTQQZ-UHFFFAOYSA-N
XLogP3.16
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 110619594
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619586
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110609180
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-propylpentanamide
CID 4079737
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
1-benzyl-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7137050
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110662836
2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110325968
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
CID 5050311

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 110619629) is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is COc1ccc2cc(CCNC(=O)c3cc(-c4ccccc4)on3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is REURNVBIFKTQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-28-17-8-7-15-11-16(21(26)24-18(15)12-17)9-10-23-22(27)19-13-20(29-25-19)14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110619629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).