(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone

C20H19N5O — CID 118743671

IUPAC(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC2(CCN2c2ncccn2)C1
InChIInChI=1S/C20H19N5O/c26-18(17-7-6-15-4-1-2-5-16(15)23-17)24-12-8-20(14-24)9-13-25(20)19-21-10-3-11-22-19/h1-7,10-11H,8-9,12-14H2
InChIKeySWKIGQZYMAFOIG-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.52
Rot. Bonds2

About (1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone

(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone (PubChem CID 118743671) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is (1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone
PubChem CID118743671
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC2(CCN2c2ncccn2)C1
InChIInChI=1S/C20H19N5O/c26-18(17-7-6-15-4-1-2-5-16(15)23-17)24-12-8-20(14-24)9-13-25(20)19-21-10-3-11-22-19/h1-7,10-11H,8-9,12-14H2
InChIKeySWKIGQZYMAFOIG-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone with MolForge

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Related Compounds

[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone
CID 97393407
(4-methylphenyl)-[(4S)-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97397746
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
(6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495371
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
[(3S)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 124942181
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
CID 121187471
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
CID 103727060
phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493644
1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155856612

Frequently Asked Questions

What is the IUPAC name of (1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone?
The IUPAC name of (1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone (CID 118743671) is (1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCC2(CCN2c2ncccn2)C1.
What is the InChIKey of (1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone?
The InChIKey is SWKIGQZYMAFOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-18(17-7-6-15-4-1-2-5-16(15)23-17)24-12-8-20(14-24)9-13-25(20)19-21-10-3-11-22-19/h1-7,10-11H,8-9,12-14H2.
What are the key properties of (1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone?
(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone has a molecular weight of 345.41 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 118743671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).