4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide

C22H32N4O2 — CID 124737653

IUPAC4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide
SMILESC[C@H]1CN(CCCCNC(=O)c2cc(N(C)C)c3ccccc3n2)C[C@H](C)O1
InChIInChI=1S/C22H32N4O2/c1-16-14-26(15-17(2)28-16)12-8-7-11-23-22(27)20-13-21(25(3)4)18-9-5-6-10-19(18)24-20/h5-6,9-10,13,16-17H,7-8,11-12,14-15H2,1-4H3,(H,23,27)/t16-,17-/m0/s1
InChIKeyPXNHVQLROSGRQR-IRXDYDNUSA-N
MW384.52 g/mol
LogP2.92
Rot. Bonds7

About 4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide

4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide (PubChem CID 124737653) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide
PubChem CID124737653
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide
SMILESC[C@H]1CN(CCCCNC(=O)c2cc(N(C)C)c3ccccc3n2)C[C@H](C)O1
InChIInChI=1S/C22H32N4O2/c1-16-14-26(15-17(2)28-16)12-8-7-11-23-22(27)20-13-21(25(3)4)18-9-5-6-10-19(18)24-20/h5-6,9-10,13,16-17H,7-8,11-12,14-15H2,1-4H3,(H,23,27)/t16-,17-/m0/s1
InChIKeyPXNHVQLROSGRQR-IRXDYDNUSA-N
XLogP2.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide
CID 119946742
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 30471048
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-phenylprop-2-ynamide
CID 97039116
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850
N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55631634
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 134024203
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
CID 97024088
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide (CID 124737653) is 4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide is C[C@H]1CN(CCCCNC(=O)c2cc(N(C)C)c3ccccc3n2)C[C@H](C)O1.
What is the InChIKey of 4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide?
The InChIKey is PXNHVQLROSGRQR-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16-14-26(15-17(2)28-16)12-8-7-11-23-22(27)20-13-21(25(3)4)18-9-5-6-10-19(18)24-20/h5-6,9-10,13,16-17H,7-8,11-12,14-15H2,1-4H3,(H,23,27)/t16-,17-/m0/s1.
What are the key properties of 4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide?
4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide is sourced from PubChem (CID 124737653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).