4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide

C31H30FN3O2 — CID 18435969

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide
SMILESCc1c(NC(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2F)ccc2cc(CN3CCCCC3)cnc12
InChIInChI=1S/C31H30FN3O2/c1-20-28(9-6-25-15-21(18-33-30(20)25)19-35-12-3-2-4-13-35)34-31(36)26-8-5-23(17-27(26)32)22-7-10-29-24(16-22)11-14-37-29/h5-10,15-18H,2-4,11-14,19H2,1H3,(H,34,36)
InChIKeyVGXNLWYVHGQDOZ-UHFFFAOYSA-N
MW495.60 g/mol
LogP6.52
Rot. Bonds5

About 4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide

4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide (PubChem CID 18435969) has the molecular formula C31H30FN3O2 and a molecular weight of 495.60 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide
PubChem CID18435969
Molecular FormulaC31H30FN3O2
Molecular Weight495.60 g/mol
Exact Mass495.23
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide
SMILESCc1c(NC(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2F)ccc2cc(CN3CCCCC3)cnc12
InChIInChI=1S/C31H30FN3O2/c1-20-28(9-6-25-15-21(18-33-30(20)25)19-35-12-3-2-4-13-35)34-31(36)26-8-5-23(17-27(26)32)22-7-10-29-24(16-22)11-14-37-29/h5-10,15-18H,2-4,11-14,19H2,1H3,(H,34,36)
InChIKeyVGXNLWYVHGQDOZ-UHFFFAOYSA-N
XLogP6.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.60
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide 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 4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide (CID 18435969) is 4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide is Cc1c(NC(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2F)ccc2cc(CN3CCCCC3)cnc12.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide?
The InChIKey is VGXNLWYVHGQDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN3O2/c1-20-28(9-6-25-15-21(18-33-30(20)25)19-35-12-3-2-4-13-35)34-31(36)26-8-5-23(17-27(26)32)22-7-10-29-24(16-22)11-14-37-29/h5-10,15-18H,2-4,11-14,19H2,1H3,(H,34,36).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide?
4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide has a molecular weight of 495.60 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoro-N-[8-methyl-3-(piperidin-1-ylmethyl)quinolin-7-yl]benzamide is sourced from PubChem (CID 18435969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).