6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one

C24H26ClN3O — CID 20817846

IUPAC6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one
SMILESCn1c(=O)cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C24H26ClN3O/c1-27-23-10-9-19(25)16-21(23)22(17-24(27)29)26-20-11-14-28(15-12-20)13-5-8-18-6-3-2-4-7-18/h2-10,16-17,20,26H,11-15H2,1H3/b8-5+
InChIKeyUGDQKRGYVYUTTP-VMPITWQZSA-N
MW407.95 g/mol
LogP4.78
Rot. Bonds5

About 6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one

6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one (PubChem CID 20817846) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one.

Molecular Properties

Compound Name6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one
PubChem CID20817846
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one
SMILESCn1c(=O)cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C24H26ClN3O/c1-27-23-10-9-19(25)16-21(23)22(17-24(27)29)26-20-11-14-28(15-12-20)13-5-8-18-6-3-2-4-7-18/h2-10,16-17,20,26H,11-15H2,1H3/b8-5+
InChIKeyUGDQKRGYVYUTTP-VMPITWQZSA-N
XLogP4.78
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one?
The IUPAC name of 6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one (CID 20817846) is 6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one.
What is the SMILES notation for 6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one?
The canonical SMILES for 6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one is Cn1c(=O)cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one?
The InChIKey is UGDQKRGYVYUTTP-VMPITWQZSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-27-23-10-9-19(25)16-21(23)22(17-24(27)29)26-20-11-14-28(15-12-20)13-5-8-18-6-3-2-4-7-18/h2-10,16-17,20,26H,11-15H2,1H3/b8-5+.
What are the key properties of 6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one?
6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one has a molecular weight of 407.95 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]quinolin-2-one is sourced from PubChem (CID 20817846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).