N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide

C24H28FN3O3 — CID 45170349

IUPACN-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide
SMILESCOCCN(Cc1cc2ccc(F)cc2nc1N1CCCCCC1)C(=O)c1ccoc1
InChIInChI=1S/C24H28FN3O3/c1-30-13-11-28(24(29)19-8-12-31-17-19)16-20-14-18-6-7-21(25)15-22(18)26-23(20)27-9-4-2-3-5-10-27/h6-8,12,14-15,17H,2-5,9-11,13,16H2,1H3
InChIKeyRVYMREXVIQRECM-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.64
Rot. Bonds7

About N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide

N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide (PubChem CID 45170349) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide
PubChem CID45170349
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide
SMILESCOCCN(Cc1cc2ccc(F)cc2nc1N1CCCCCC1)C(=O)c1ccoc1
InChIInChI=1S/C24H28FN3O3/c1-30-13-11-28(24(29)19-8-12-31-17-19)16-20-14-18-6-7-21(25)15-22(18)26-23(20)27-9-4-2-3-5-10-27/h6-8,12,14-15,17H,2-5,9-11,13,16H2,1H3
InChIKeyRVYMREXVIQRECM-UHFFFAOYSA-N
XLogP4.64
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide?
The IUPAC name of N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide (CID 45170349) is N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide.
What is the SMILES notation for N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide?
The canonical SMILES for N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide is COCCN(Cc1cc2ccc(F)cc2nc1N1CCCCCC1)C(=O)c1ccoc1.
What is the InChIKey of N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide?
The InChIKey is RVYMREXVIQRECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-30-13-11-28(24(29)19-8-12-31-17-19)16-20-14-18-6-7-21(25)15-22(18)26-23(20)27-9-4-2-3-5-10-27/h6-8,12,14-15,17H,2-5,9-11,13,16H2,1H3.
What are the key properties of N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide?
N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)furan-3-carboxamide is sourced from PubChem (CID 45170349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).