8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one

C22H21N3O2 — CID 175800223

IUPAC8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one
SMILESCC1CC12C(=O)Nc1cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c12
InChIInChI=1S/C22H21N3O2/c1-12-8-22(12)19-16-7-13(14-6-15(10-23-9-14)21(2,3)27)4-5-17(16)24-11-18(19)25-20(22)26/h4-7,9-12,27H,8H2,1-3H3,(H,25,26)
InChIKeyMSZUTCMCQBNTCV-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.75
Rot. Bonds2

About 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one

8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one (PubChem CID 175800223) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one
PubChem CID175800223
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one
SMILESCC1CC12C(=O)Nc1cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c12
InChIInChI=1S/C22H21N3O2/c1-12-8-22(12)19-16-7-13(14-6-15(10-23-9-14)21(2,3)27)4-5-17(16)24-11-18(19)25-20(22)26/h4-7,9-12,27H,8H2,1-3H3,(H,25,26)
InChIKeyMSZUTCMCQBNTCV-UHFFFAOYSA-N
XLogP3.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one?
The IUPAC name of 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one (CID 175800223) is 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one.
What is the SMILES notation for 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one?
The canonical SMILES for 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one is CC1CC12C(=O)Nc1cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c12.
What is the InChIKey of 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one?
The InChIKey is MSZUTCMCQBNTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-12-8-22(12)19-16-7-13(14-6-15(10-23-9-14)21(2,3)27)4-5-17(16)24-11-18(19)25-20(22)26/h4-7,9-12,27H,8H2,1-3H3,(H,25,26).
What are the key properties of 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one?
8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-2'-methylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopropane]-2-one is sourced from PubChem (CID 175800223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).