[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C22H26N4O3 — CID 109331854

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)OCCO3)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C22H26N4O3/c1-16-15-18(20(27)25-11-8-22(9-12-25)28-13-14-29-22)24-21(23-16)26-10-4-6-17-5-2-3-7-19(17)26/h2-3,5,7,15H,4,6,8-14H2,1H3
InChIKeyLRGGSHWIGDRSCL-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.85
Rot. Bonds2

About [2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 109331854) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID109331854
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)OCCO3)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C22H26N4O3/c1-16-15-18(20(27)25-11-8-22(9-12-25)28-13-14-29-22)24-21(23-16)26-10-4-6-17-5-2-3-7-19(17)26/h2-3,5,7,15H,4,6,8-14H2,1H3
InChIKeyLRGGSHWIGDRSCL-UHFFFAOYSA-N
XLogP2.85
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331562
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethane-1,2-dione
CID 108985988
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109335535
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109326179
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109334352
3,4-dihydro-2H-quinolin-1-yl-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322335
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173968
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332521

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 109331854) is [2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cc1cc(C(=O)N2CCC3(CC2)OCCO3)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is LRGGSHWIGDRSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16-15-18(20(27)25-11-8-22(9-12-25)28-13-14-29-22)24-21(23-16)26-10-4-6-17-5-2-3-7-19(17)26/h2-3,5,7,15H,4,6,8-14H2,1H3.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 394.48 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 109331854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).