N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide

C22H21N3O4 — CID 154795837

IUPACN-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3ccc(=O)[nH]c23)cc1C(=O)N1CCOCC1
InChIInChI=1S/C22H21N3O4/c1-14-5-7-16(13-18(14)22(28)25-9-11-29-12-10-25)23-21(27)17-4-2-3-15-6-8-19(26)24-20(15)17/h2-8,13H,9-12H2,1H3,(H,23,27)(H,24,26)
InChIKeyXFAIXHAIZLEHDY-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.56
Rot. Bonds3

About N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide

N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide (PubChem CID 154795837) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide
PubChem CID154795837
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3ccc(=O)[nH]c23)cc1C(=O)N1CCOCC1
InChIInChI=1S/C22H21N3O4/c1-14-5-7-16(13-18(14)22(28)25-9-11-29-12-10-25)23-21(27)17-4-2-3-15-6-8-19(26)24-20(15)17/h2-8,13H,9-12H2,1H3,(H,23,27)(H,24,26)
InChIKeyXFAIXHAIZLEHDY-UHFFFAOYSA-N
XLogP2.56
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide
CID 136537487
4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide
CID 136542835
N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide
CID 136537639
(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 154743118
6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 110618703
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
6-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55797116
3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide
CID 50995963
N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122870
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide?
The IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide (CID 154795837) is N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide?
The canonical SMILES for N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide is Cc1ccc(NC(=O)c2cccc3ccc(=O)[nH]c23)cc1C(=O)N1CCOCC1.
What is the InChIKey of N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide?
The InChIKey is XFAIXHAIZLEHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14-5-7-16(13-18(14)22(28)25-9-11-29-12-10-25)23-21(27)17-4-2-3-15-6-8-19(26)24-20(15)17/h2-8,13H,9-12H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide?
N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide is sourced from PubChem (CID 154795837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).