N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide

C29H29N3O3 — CID 176600592

IUPACN-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide
SMILESCc1ccc(OCC2CCN2C)cc1C(=O)NC1(c2cc(-c3ccoc3)cc3ncccc23)CC1
InChIInChI=1S/C29H29N3O3/c1-19-5-6-23(35-18-22-7-12-32(22)2)16-25(19)28(33)31-29(9-10-29)26-14-21(20-8-13-34-17-20)15-27-24(26)4-3-11-30-27/h3-6,8,11,13-17,22H,7,9-10,12,18H2,1-2H3,(H,31,33)
InChIKeyRJSLVWLEROQLSB-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.31
Rot. Bonds7

About N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide

N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide (PubChem CID 176600592) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide
PubChem CID176600592
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC NameN-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide
SMILESCc1ccc(OCC2CCN2C)cc1C(=O)NC1(c2cc(-c3ccoc3)cc3ncccc23)CC1
InChIInChI=1S/C29H29N3O3/c1-19-5-6-23(35-18-22-7-12-32(22)2)16-25(19)28(33)31-29(9-10-29)26-14-21(20-8-13-34-17-20)15-27-24(26)4-3-11-30-27/h3-6,8,11,13-17,22H,7,9-10,12,18H2,1-2H3,(H,31,33)
InChIKeyRJSLVWLEROQLSB-UHFFFAOYSA-N
XLogP5.31
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide?
The IUPAC name of N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide (CID 176600592) is N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide is Cc1ccc(OCC2CCN2C)cc1C(=O)NC1(c2cc(-c3ccoc3)cc3ncccc23)CC1.
What is the InChIKey of N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide?
The InChIKey is RJSLVWLEROQLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-19-5-6-23(35-18-22-7-12-32(22)2)16-25(19)28(33)31-29(9-10-29)26-14-21(20-8-13-34-17-20)15-27-24(26)4-3-11-30-27/h3-6,8,11,13-17,22H,7,9-10,12,18H2,1-2H3,(H,31,33).
What are the key properties of N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide?
N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide has a molecular weight of 467.57 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-(furan-3-yl)quinolin-5-yl]cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide is sourced from PubChem (CID 176600592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).