N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C22H24N4O4 — CID 30780885

IUPACN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C22H24N4O4/c27-20-8-2-15-13-16(1-7-19(15)25-20)22(29)24-18-5-3-17(4-6-18)23-21(28)14-26-9-11-30-12-10-26/h1,3-7,13H,2,8-12,14H2,(H,23,28)(H,24,29)(H,25,27)
InChIKeyFBJIWDMGTAAFIX-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.09
Rot. Bonds5

About N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 30780885) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID30780885
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C22H24N4O4/c27-20-8-2-15-13-16(1-7-19(15)25-20)22(29)24-18-5-3-17(4-6-18)23-21(28)14-26-9-11-30-12-10-26/h1,3-7,13H,2,8-12,14H2,(H,23,28)(H,24,29)(H,25,27)
InChIKeyFBJIWDMGTAAFIX-UHFFFAOYSA-N
XLogP2.09
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151766
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 37043367
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103136
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide
CID 30780727
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
CID 16611977

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 30780885) is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is FBJIWDMGTAAFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-20-8-2-15-13-16(1-7-19(15)25-20)22(29)24-18-5-3-17(4-6-18)23-21(28)14-26-9-11-30-12-10-26/h1,3-7,13H,2,8-12,14H2,(H,23,28)(H,24,29)(H,25,27).
What are the key properties of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 30780885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).