4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

C25H25ClN2O2 — CID 152878566

IUPAC4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(Oc3ccnc4ccccc34)C[C@@H]12
InChIInChI=1S/C25H25ClN2O2/c1-2-21(28-25(29)15-7-9-16(26)10-8-15)24-19-13-17(14-20(19)24)30-23-11-12-27-22-6-4-3-5-18(22)23/h3-12,17,19-21,24H,2,13-14H2,1H3,(H,28,29)/t17?,19-,20+,21?,24?
InChIKeyUAXPPQPDGOMVPD-VUGFPVJYSA-N
MW420.94 g/mol
LogP5.50
Rot. Bonds6

About 4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (PubChem CID 152878566) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
PubChem CID152878566
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC Name4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(Oc3ccnc4ccccc34)C[C@@H]12
InChIInChI=1S/C25H25ClN2O2/c1-2-21(28-25(29)15-7-9-16(26)10-8-15)24-19-13-17(14-20(19)24)30-23-11-12-27-22-6-4-3-5-18(22)23/h3-12,17,19-21,24H,2,13-14H2,1H3,(H,28,29)/t17?,19-,20+,21?,24?
InChIKeyUAXPPQPDGOMVPD-VUGFPVJYSA-N
XLogP5.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(8-Chloro-3-methylquinolin-4-yl)phenoxy]-N-ethylbenzamide
CID 44472998
Biarylether amide quinoline, 4k
CID 44472999
Biarylether amide quinoline, 4l
CID 44473000
N-Cyclopropyl-6-[(7-methoxy-4-quinolinyl)oxy]-1-naphthalenecarboxamide
CID 11383525
N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 24824184
3-{7-Chloro-3-(3,5-dimethylphenyl)-4-[2-(piperidin-2-yl)ethoxy]quinolin-6-yl}benzamide
CID 24951597
3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)quinolin-6-yl]benzamide
CID 24956953
4-chloro-N-[1-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288903
4-[4-[[(2S,3S)-1-[[(3S,4S)-1-(butylamino)-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]phenoxy]-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide
CID 70682473
4-[4-[[(2S,3S)-1-[[(3S,4S)-1-(butylamino)-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]phenoxy]-N-[(2S)-1-[3-[(7-chloroquinolin-4-yl)amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 70690877
3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide
CID 834663
4-phenylmethoxy-N-quinolin-5-ylbenzamide
CID 1017989

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (CID 152878566) is 4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is CCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(Oc3ccnc4ccccc34)C[C@@H]12.
What is the InChIKey of 4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The InChIKey is UAXPPQPDGOMVPD-VUGFPVJYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c1-2-21(28-25(29)15-7-9-16(26)10-8-15)24-19-13-17(14-20(19)24)30-23-11-12-27-22-6-4-3-5-18(22)23/h3-12,17,19-21,24H,2,13-14H2,1H3,(H,28,29)/t17?,19-,20+,21?,24?.
What are the key properties of 4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide has a molecular weight of 420.94 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is sourced from PubChem (CID 152878566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).