N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C21H25N3O4 — CID 110609277

IUPACN-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C)c2cc(CCNC(=O)c3c(C)noc3C(C)C)c(=O)[nH]c12
InChIInChI=1S/C21H25N3O4/c1-11(2)19-17(13(4)24-28-19)21(26)22-9-8-14-10-15-12(3)6-7-16(27-5)18(15)23-20(14)25/h6-7,10-11H,8-9H2,1-5H3,(H,22,26)(H,23,25)
InChIKeyZCCQAENLJCGIKU-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 110609277) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID110609277
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C)c2cc(CCNC(=O)c3c(C)noc3C(C)C)c(=O)[nH]c12
InChIInChI=1S/C21H25N3O4/c1-11(2)19-17(13(4)24-28-19)21(26)22-9-8-14-10-15-12(3)6-7-16(27-5)18(15)23-20(14)25/h6-7,10-11H,8-9H2,1-5H3,(H,22,26)(H,23,25)
InChIKeyZCCQAENLJCGIKU-UHFFFAOYSA-N
XLogP3.24
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110415717
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CID 110602465
2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110414437
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110602477
N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110607236
2-chloro-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136765
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 5070810
N-[2-(2-hydroxyphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110614864
4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 3497039
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9269043
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 5197848
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide
CID 5223437

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 110609277) is N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is COc1ccc(C)c2cc(CCNC(=O)c3c(C)noc3C(C)C)c(=O)[nH]c12.
What is the InChIKey of N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is ZCCQAENLJCGIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-11(2)19-17(13(4)24-28-19)21(26)22-9-8-14-10-15-12(3)6-7-16(27-5)18(15)23-20(14)25/h6-7,10-11H,8-9H2,1-5H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110609277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).