2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C23H23FN4O — CID 139429296

IUPAC2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CC1)CN(c1ccnc3ccc(F)cc13)C2
InChIInChI=1S/C23H23FN4O/c24-17-6-7-20-19(14-17)21(8-11-25-20)28-15-23(16-28)9-12-27(13-10-23)22(29)26-18-4-2-1-3-5-18/h1-8,11,14H,9-10,12-13,15-16H2,(H,26,29)
InChIKeyDCMCOCAQGCMZRQ-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.51
Rot. Bonds2

About 2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 139429296) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID139429296
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CC1)CN(c1ccnc3ccc(F)cc13)C2
InChIInChI=1S/C23H23FN4O/c24-17-6-7-20-19(14-17)21(8-11-25-20)28-15-23(16-28)9-12-27(13-10-23)22(29)26-18-4-2-1-3-5-18/h1-8,11,14H,9-10,12-13,15-16H2,(H,26,29)
InChIKeyDCMCOCAQGCMZRQ-UHFFFAOYSA-N
XLogP4.51
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 155419805
N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 155419801
N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide
CID 155419803
7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 155419707
4-chloro-N-[3-[2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonan-7-yl]pent-1-en-2-yl]aniline
CID 160704771
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
1-(6-fluoroquinolin-4-yl)piperidin-4-one
CID 95929822
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91952359

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 139429296) is 2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is O=C(Nc1ccccc1)N1CCC2(CC1)CN(c1ccnc3ccc(F)cc13)C2.
What is the InChIKey of 2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is DCMCOCAQGCMZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-17-6-7-20-19(14-17)21(8-11-25-20)28-15-23(16-28)9-12-27(13-10-23)22(29)26-18-4-2-1-3-5-18/h1-8,11,14H,9-10,12-13,15-16H2,(H,26,29).
What are the key properties of 2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 139429296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).