5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide

C21H26BrN3O3 — CID 27369839

IUPAC5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide
SMILESCN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CCOCC3)ccc21
InChIInChI=1S/C21H26BrN3O3/c1-24-8-2-3-15-13-16(4-5-17(15)24)18(25-9-11-27-12-10-25)14-23-21(26)19-6-7-20(22)28-19/h4-7,13,18H,2-3,8-12,14H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyZZYLPXGWIWDADH-GOSISDBHSA-N
MW448.36 g/mol
LogP3.23
Rot. Bonds5

About 5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide

5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide (PubChem CID 27369839) has the molecular formula C21H26BrN3O3 and a molecular weight of 448.36 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide
PubChem CID27369839
Molecular FormulaC21H26BrN3O3
Molecular Weight448.36 g/mol
Exact Mass447.12
IUPAC Name5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide
SMILESCN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CCOCC3)ccc21
InChIInChI=1S/C21H26BrN3O3/c1-24-8-2-3-15-13-16(4-5-17(15)24)18(25-9-11-27-12-10-25)14-23-21(26)19-6-7-20(22)28-19/h4-7,13,18H,2-3,8-12,14H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyZZYLPXGWIWDADH-GOSISDBHSA-N
XLogP3.23
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 20934532
5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 27369673
2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
CID 27369763
N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27369962
3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
CID 16812668
2-bromo-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575632
4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575716
4-tert-butyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575720
5-bromo-N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-2-carboxamide
CID 40890080
4-bromo-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27369685
3-bromo-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 16812658
3-bromo-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575570

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide (CID 27369839) is 5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide is CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CCOCC3)ccc21.
What is the InChIKey of 5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide?
The InChIKey is ZZYLPXGWIWDADH-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26BrN3O3/c1-24-8-2-3-15-13-16(4-5-17(15)24)18(25-9-11-27-12-10-25)14-23-21(26)19-6-7-20(22)28-19/h4-7,13,18H,2-3,8-12,14H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of 5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide?
5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide has a molecular weight of 448.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 27369839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).