(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone

C22H29FN4O — CID 70759141

IUPAC(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(C)CCCN3C)c2ccc(F)cc2n1
InChIInChI=1S/C22H29FN4O/c1-16-13-19(18-6-5-17(23)14-20(18)24-16)21(28)27-11-7-22(8-12-27)15-25(2)9-4-10-26(22)3/h5-6,13-14H,4,7-12,15H2,1-3H3
InChIKeyLSFSGVDEWAHWGN-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.92
Rot. Bonds1

About (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone

(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone (PubChem CID 70759141) has the molecular formula C22H29FN4O and a molecular weight of 384.50 g/mol. Its IUPAC name is (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone
PubChem CID70759141
Molecular FormulaC22H29FN4O
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(C)CCCN3C)c2ccc(F)cc2n1
InChIInChI=1S/C22H29FN4O/c1-16-13-19(18-6-5-17(23)14-20(18)24-16)21(28)27-11-7-22(8-12-27)15-25(2)9-4-10-26(22)3/h5-6,13-14H,4,7-12,15H2,1-3H3
InChIKeyLSFSGVDEWAHWGN-UHFFFAOYSA-N
XLogP2.92
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone?
The IUPAC name of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone (CID 70759141) is (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone.
What is the SMILES notation for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone?
The canonical SMILES for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCC3(CC2)CN(C)CCCN3C)c2ccc(F)cc2n1.
What is the InChIKey of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone?
The InChIKey is LSFSGVDEWAHWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O/c1-16-13-19(18-6-5-17(23)14-20(18)24-16)21(28)27-11-7-22(8-12-27)15-25(2)9-4-10-26(22)3/h5-6,13-14H,4,7-12,15H2,1-3H3.
What are the key properties of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone?
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone has a molecular weight of 384.50 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 70759141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).