6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one

C23H26ClN3O2 — CID 67395246

IUPAC6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESN[C@@H]1CCCN([C@@H]2Cc3ccccc3[C@H]2Oc2cc3c(cc2Cl)NC(=O)CC3)C1
InChIInChI=1S/C23H26ClN3O2/c24-18-12-19-15(7-8-22(28)26-19)11-21(18)29-23-17-6-2-1-4-14(17)10-20(23)27-9-3-5-16(25)13-27/h1-2,4,6,11-12,16,20,23H,3,5,7-10,13,25H2,(H,26,28)/t16-,20-,23-/m1/s1
InChIKeyAFLZJKYSIASVQY-AYPBNUJASA-N
MW411.93 g/mol
LogP3.69
Rot. Bonds3

About 6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one

6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 67395246) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one
PubChem CID67395246
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESN[C@@H]1CCCN([C@@H]2Cc3ccccc3[C@H]2Oc2cc3c(cc2Cl)NC(=O)CC3)C1
InChIInChI=1S/C23H26ClN3O2/c24-18-12-19-15(7-8-22(28)26-19)11-21(18)29-23-17-6-2-1-4-14(17)10-20(23)27-9-3-5-16(25)13-27/h1-2,4,6,11-12,16,20,23H,3,5,7-10,13,25H2,(H,26,28)/t16-,20-,23-/m1/s1
InChIKeyAFLZJKYSIASVQY-AYPBNUJASA-N
XLogP3.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one (CID 67395246) is 6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one is N[C@@H]1CCCN([C@@H]2Cc3ccccc3[C@H]2Oc2cc3c(cc2Cl)NC(=O)CC3)C1.
What is the InChIKey of 6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AFLZJKYSIASVQY-AYPBNUJASA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-18-12-19-15(7-8-22(28)26-19)11-21(18)29-23-17-6-2-1-4-14(17)10-20(23)27-9-3-5-16(25)13-27/h1-2,4,6,11-12,16,20,23H,3,5,7-10,13,25H2,(H,26,28)/t16-,20-,23-/m1/s1.
What are the key properties of 6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one?
6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 411.93 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 67395246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).