6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide

C22H23N3O3 — CID 110618703

IUPAC6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C)c2[nH]c(=O)c(C(=O)Nc3cccc(N4CCOCC4)c3)cc2c1
InChIInChI=1S/C22H23N3O3/c1-14-10-15(2)20-16(11-14)12-19(22(27)24-20)21(26)23-17-4-3-5-18(13-17)25-6-8-28-9-7-25/h3-5,10-13H,6-9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyCBQGULNGYZLVFF-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.23
Rot. Bonds3

About 6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide

6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110618703) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110618703
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C)c2[nH]c(=O)c(C(=O)Nc3cccc(N4CCOCC4)c3)cc2c1
InChIInChI=1S/C22H23N3O3/c1-14-10-15(2)20-16(11-14)12-19(22(27)24-20)21(26)23-17-4-3-5-18(13-17)25-6-8-28-9-7-25/h3-5,10-13H,6-9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyCBQGULNGYZLVFF-UHFFFAOYSA-N
XLogP3.23
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide
CID 110422824
N-(3-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71938580
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 110295978
2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362363
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55951668
4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 55951801

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide (CID 110618703) is 6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide is Cc1cc(C)c2[nH]c(=O)c(C(=O)Nc3cccc(N4CCOCC4)c3)cc2c1.
What is the InChIKey of 6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is CBQGULNGYZLVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-10-15(2)20-16(11-14)12-19(22(27)24-20)21(26)23-17-4-3-5-18(13-17)25-6-8-28-9-7-25/h3-5,10-13H,6-9H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110618703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).