(5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane

C17H18FIN2O2 — CID 100672155

IUPAC(5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCOc1cc2c(N3CC[C@]4(CCOC4)C3)c(I)cnc2cc1F
InChIInChI=1S/C17H18FIN2O2/c1-22-15-6-11-14(7-12(15)18)20-8-13(19)16(11)21-4-2-17(9-21)3-5-23-10-17/h6-8H,2-5,9-10H2,1H3/t17-/m0/s1
InChIKeyGWOGWIAEKRQNMU-KRWDZBQOSA-N
MW428.25 g/mol
LogP3.60
Rot. Bonds2

About (5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane

(5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 100672155) has the molecular formula C17H18FIN2O2 and a molecular weight of 428.25 g/mol. Its IUPAC name is (5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID100672155
Molecular FormulaC17H18FIN2O2
Molecular Weight428.25 g/mol
Exact Mass428.04
IUPAC Name(5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCOc1cc2c(N3CC[C@]4(CCOC4)C3)c(I)cnc2cc1F
InChIInChI=1S/C17H18FIN2O2/c1-22-15-6-11-14(7-12(15)18)20-8-13(19)16(11)21-4-2-17(9-21)3-5-23-10-17/h6-8H,2-5,9-10H2,1H3/t17-/m0/s1
InChIKeyGWOGWIAEKRQNMU-KRWDZBQOSA-N
XLogP3.60
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133493393
7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 84586688
4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane
CID 157041023
7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71971617
8-(6-fluoro-7-methoxyquinolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 157040955
1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052611
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane
CID 133493400
4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine
CID 127922091
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
(5S)-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 97010540
5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile
CID 133491090

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane (CID 100672155) is (5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane is COc1cc2c(N3CC[C@]4(CCOC4)C3)c(I)cnc2cc1F.
What is the InChIKey of (5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is GWOGWIAEKRQNMU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18FIN2O2/c1-22-15-6-11-14(7-12(15)18)20-8-13(19)16(11)21-4-2-17(9-21)3-5-23-10-17/h6-8H,2-5,9-10H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
(5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 428.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 100672155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).