2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide

C22H22N4O3 — CID 95726365

IUPAC2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(NC(=O)C[C@H]3COCCN3)cc2)nc2ccccc12
InChIInChI=1S/C22H22N4O3/c23-22(28)18-12-20(26-19-4-2-1-3-17(18)19)14-5-7-15(8-6-14)25-21(27)11-16-13-29-10-9-24-16/h1-8,12,16,24H,9-11,13H2,(H2,23,28)(H,25,27)/t16-/m0/s1
InChIKeyPEVPTIJFSBSJHQ-INIZCTEOSA-N
MW390.44 g/mol
LogP2.32
Rot. Bonds5

About 2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide

2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide (PubChem CID 95726365) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide
PubChem CID95726365
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(NC(=O)C[C@H]3COCCN3)cc2)nc2ccccc12
InChIInChI=1S/C22H22N4O3/c23-22(28)18-12-20(26-19-4-2-1-3-17(18)19)14-5-7-15(8-6-14)25-21(27)11-16-13-29-10-9-24-16/h1-8,12,16,24H,9-11,13H2,(H2,23,28)(H,25,27)/t16-/m0/s1
InChIKeyPEVPTIJFSBSJHQ-INIZCTEOSA-N
XLogP2.32
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-dioxolan-2-yl)phenyl]-2-morpholin-3-ylacetamide
CID 106911781
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 2358673
2-(4-isocyanatophenyl)quinoline-4-carboxamide
CID 169352677
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide
CID 166336345
N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375271
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide
CID 142723920
2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide
CID 162460261
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2121133
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide (CID 95726365) is 2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide is NC(=O)c1cc(-c2ccc(NC(=O)C[C@H]3COCCN3)cc2)nc2ccccc12.
What is the InChIKey of 2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide?
The InChIKey is PEVPTIJFSBSJHQ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N4O3/c23-22(28)18-12-20(26-19-4-2-1-3-17(18)19)14-5-7-15(8-6-14)25-21(27)11-16-13-29-10-9-24-16/h1-8,12,16,24H,9-11,13H2,(H2,23,28)(H,25,27)/t16-/m0/s1.
What are the key properties of 2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide?
2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 95726365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).