3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide

C24H21ClN4O3 — CID 118955636

IUPAC3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide
SMILESC[C@H](Nc1cccc(C(N)=O)c1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
InChIInChI=1S/C24H21ClN4O3/c1-14(28-17-7-4-5-15(9-17)23(26)30)19-10-16-11-20(25)22(12-21(16)29-24(19)31)32-13-18-6-2-3-8-27-18/h2-12,14,28H,13H2,1H3,(H2,26,30)(H,29,31)/t14-/m0/s1
InChIKeyNUZSGLZEIZKIIM-AWEZNQCLSA-N
MW448.91 g/mol
LogP4.43
Rot. Bonds7

About 3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide

3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide (PubChem CID 118955636) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is 3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide
PubChem CID118955636
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC Name3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide
SMILESC[C@H](Nc1cccc(C(N)=O)c1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
InChIInChI=1S/C24H21ClN4O3/c1-14(28-17-7-4-5-15(9-17)23(26)30)19-10-16-11-20(25)22(12-21(16)29-24(19)31)32-13-18-6-2-3-8-27-18/h2-12,14,28H,13H2,1H3,(H2,26,30)(H,29,31)/t14-/m0/s1
InChIKeyNUZSGLZEIZKIIM-AWEZNQCLSA-N
XLogP4.43
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide?
The IUPAC name of 3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide (CID 118955636) is 3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide.
What is the SMILES notation for 3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide?
The canonical SMILES for 3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide is C[C@H](Nc1cccc(C(N)=O)c1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O.
What is the InChIKey of 3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide?
The InChIKey is NUZSGLZEIZKIIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c1-14(28-17-7-4-5-15(9-17)23(26)30)19-10-16-11-20(25)22(12-21(16)29-24(19)31)32-13-18-6-2-3-8-27-18/h2-12,14,28H,13H2,1H3,(H2,26,30)(H,29,31)/t14-/m0/s1.
What are the key properties of 3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide?
3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide has a molecular weight of 448.91 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide is sourced from PubChem (CID 118955636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).