N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide

C23H23N3O2 — CID 56890334

IUPACN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1ccc2ccccc2n1
InChIInChI=1S/C23H23N3O2/c27-21-20(16-6-2-3-7-17(16)23(21)11-13-24-14-12-23)26-22(28)19-10-9-15-5-1-4-8-18(15)25-19/h1-10,20-21,24,27H,11-14H2,(H,26,28)/t20-,21+/m1/s1
InChIKeyYQRVZZBWQXBMKC-RTWAWAEBSA-N
MW373.46 g/mol
LogP2.70
Rot. Bonds2

About N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide

N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide (PubChem CID 56890334) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide
PubChem CID56890334
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1ccc2ccccc2n1
InChIInChI=1S/C23H23N3O2/c27-21-20(16-6-2-3-7-17(16)23(21)11-13-24-14-12-23)26-22(28)19-10-9-15-5-1-4-8-18(15)25-19/h1-10,20-21,24,27H,11-14H2,(H,26,28)/t20-,21+/m1/s1
InChIKeyYQRVZZBWQXBMKC-RTWAWAEBSA-N
XLogP2.70
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide (CID 56890334) is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide is O=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide?
The InChIKey is YQRVZZBWQXBMKC-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-21-20(16-6-2-3-7-17(16)23(21)11-13-24-14-12-23)26-22(28)19-10-9-15-5-1-4-8-18(15)25-19/h1-10,20-21,24,27H,11-14H2,(H,26,28)/t20-,21+/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide?
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]quinoline-2-carboxamide is sourced from PubChem (CID 56890334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).