N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide

C23H26FN3O2 — CID 70821778

IUPACN-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide
SMILESCCC(C)COc1ccc(C(=O)Nc2ccc3cc(CN)cnc3c2C)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-4-14(2)13-29-18-6-7-19(20(24)10-18)23(28)27-21-8-5-17-9-16(11-25)12-26-22(17)15(21)3/h5-10,12,14H,4,11,13,25H2,1-3H3,(H,27,28)
InChIKeyBIJCDSHEOZSMPL-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.82
Rot. Bonds7

About N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide

N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide (PubChem CID 70821778) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide
PubChem CID70821778
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide
SMILESCCC(C)COc1ccc(C(=O)Nc2ccc3cc(CN)cnc3c2C)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-4-14(2)13-29-18-6-7-19(20(24)10-18)23(28)27-21-8-5-17-9-16(11-25)12-26-22(17)15(21)3/h5-10,12,14H,4,11,13,25H2,1-3H3,(H,27,28)
InChIKeyBIJCDSHEOZSMPL-UHFFFAOYSA-N
XLogP4.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide?
The IUPAC name of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide (CID 70821778) is N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide.
What is the SMILES notation for N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide?
The canonical SMILES for N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide is CCC(C)COc1ccc(C(=O)Nc2ccc3cc(CN)cnc3c2C)c(F)c1.
What is the InChIKey of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide?
The InChIKey is BIJCDSHEOZSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-4-14(2)13-29-18-6-7-19(20(24)10-18)23(28)27-21-8-5-17-9-16(11-25)12-26-22(17)15(21)3/h5-10,12,14H,4,11,13,25H2,1-3H3,(H,27,28).
What are the key properties of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide?
N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide has a molecular weight of 395.48 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide is sourced from PubChem (CID 70821778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).