6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one

C20H23ClN4O — CID 121305411

IUPAC6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(-c1[nH]ncc1CC1CC3(CNC3)C1)c2Cl
InChIInChI=1S/C20H23ClN4O/c1-25-16-4-2-15(18(21)14(16)3-5-17(25)26)19-13(9-23-24-19)6-12-7-20(8-12)10-22-11-20/h2,4,9,12,22H,3,5-8,10-11H2,1H3,(H,23,24)
InChIKeyDLVBPQXAGJYRJH-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.18
Rot. Bonds3

About 6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one

6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 121305411) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID121305411
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(-c1[nH]ncc1CC1CC3(CNC3)C1)c2Cl
InChIInChI=1S/C20H23ClN4O/c1-25-16-4-2-15(18(21)14(16)3-5-17(25)26)19-13(9-23-24-19)6-12-7-20(8-12)10-22-11-20/h2,4,9,12,22H,3,5-8,10-11H2,1H3,(H,23,24)
InChIKeyDLVBPQXAGJYRJH-UHFFFAOYSA-N
XLogP3.18
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one (CID 121305411) is 6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2c1ccc(-c1[nH]ncc1CC1CC3(CNC3)C1)c2Cl.
What is the InChIKey of 6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is DLVBPQXAGJYRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-25-16-4-2-15(18(21)14(16)3-5-17(25)26)19-13(9-23-24-19)6-12-7-20(8-12)10-22-11-20/h2,4,9,12,22H,3,5-8,10-11H2,1H3,(H,23,24).
What are the key properties of 6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one?
6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 370.88 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 121305411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).