1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone

C23H21FN2O3 — CID 42750128

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccc(F)cc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C23H21FN2O3/c24-17-6-7-20-18(14-17)19(15-21(25-20)16-4-2-1-3-5-16)22(27)26-10-8-23(9-11-26)28-12-13-29-23/h1-7,14-15H,8-13H2
InChIKeyLDQNMCDXZNBUJY-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.02
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone (PubChem CID 42750128) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
PubChem CID42750128
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccc(F)cc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C23H21FN2O3/c24-17-6-7-20-18(14-17)19(15-21(25-20)16-4-2-1-3-5-16)22(27)26-10-8-23(9-11-26)28-12-13-29-23/h1-7,14-15H,8-13H2
InChIKeyLDQNMCDXZNBUJY-UHFFFAOYSA-N
XLogP4.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749888
N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375271
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 38377787
8-[2-(4-fluorophenyl)quinoline-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 119065991
(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3557816
1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 42750169
(6-fluoro-2-thiophen-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
CID 1166469
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514628
(2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 124610758
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 142581622

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone (CID 42750128) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone is O=C(c1cc(-c2ccccc2)nc2ccc(F)cc12)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone?
The InChIKey is LDQNMCDXZNBUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-17-6-7-20-18(14-17)19(15-21(25-20)16-4-2-1-3-5-16)22(27)26-10-8-23(9-11-26)28-12-13-29-23/h1-7,14-15H,8-13H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone has a molecular weight of 392.43 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 42750128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).