(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone

C25H22N4O2 — CID 58551196

IUPAC(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone
SMILESCn1cc2c(n1)-c1ccccc1OC21CCN(C(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C25H22N4O2/c1-28-16-20-23(27-28)18-8-2-3-10-21(18)31-25(20)11-14-29(15-12-25)24(30)19-9-4-6-17-7-5-13-26-22(17)19/h2-10,13,16H,11-12,14-15H2,1H3
InChIKeyOGGSQFGALCIUMK-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.16
Rot. Bonds1

About (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone

(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone (PubChem CID 58551196) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone
PubChem CID58551196
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone
SMILESCn1cc2c(n1)-c1ccccc1OC21CCN(C(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C25H22N4O2/c1-28-16-20-23(27-28)18-8-2-3-10-21(18)31-25(20)11-14-29(15-12-25)24(30)19-9-4-6-17-7-5-13-26-22(17)19/h2-10,13,16H,11-12,14-15H2,1H3
InChIKeyOGGSQFGALCIUMK-UHFFFAOYSA-N
XLogP4.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 54670933
4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 58550717
2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]
CID 58551045
N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen
CID 157412743
(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 58551193
1'-(quinoline-8-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164693999
7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56738764
(3-fluoro-2-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551510
(2,2-dimethyl-3H-1-benzofuran-4-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551437
(2-ethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551700
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051
2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551288

Frequently Asked Questions

What is the IUPAC name of (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone?
The IUPAC name of (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone (CID 58551196) is (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone.
What is the SMILES notation for (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone?
The canonical SMILES for (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone is Cn1cc2c(n1)-c1ccccc1OC21CCN(C(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone?
The InChIKey is OGGSQFGALCIUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-28-16-20-23(27-28)18-8-2-3-10-21(18)31-25(20)11-14-29(15-12-25)24(30)19-9-4-6-17-7-5-13-26-22(17)19/h2-10,13,16H,11-12,14-15H2,1H3.
What are the key properties of (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone?
(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone has a molecular weight of 410.48 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone is sourced from PubChem (CID 58551196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).