6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one

C24H26ClN3O2 — CID 122637516

IUPAC6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one
SMILESCC(C)CN1C(=O)CCc2cc(N[C@@H](C)c3cc4cc(Cl)ccc4[nH]c3=O)ccc21
InChIInChI=1S/C24H26ClN3O2/c1-14(2)13-28-22-8-6-19(11-16(22)4-9-23(28)29)26-15(3)20-12-17-10-18(25)5-7-21(17)27-24(20)30/h5-8,10-12,14-15,26H,4,9,13H2,1-3H3,(H,27,30)/t15-/m0/s1
InChIKeyACYXRWFPQXCKBV-HNNXBMFYSA-N
MW423.94 g/mol
LogP5.29
Rot. Bonds5

About 6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one

6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one (PubChem CID 122637516) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one
PubChem CID122637516
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one
SMILESCC(C)CN1C(=O)CCc2cc(N[C@@H](C)c3cc4cc(Cl)ccc4[nH]c3=O)ccc21
InChIInChI=1S/C24H26ClN3O2/c1-14(2)13-28-22-8-6-19(11-16(22)4-9-23(28)29)26-15(3)20-12-17-10-18(25)5-7-21(17)27-24(20)30/h5-8,10-12,14-15,26H,4,9,13H2,1-3H3,(H,27,30)/t15-/m0/s1
InChIKeyACYXRWFPQXCKBV-HNNXBMFYSA-N
XLogP5.29
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one (CID 122637516) is 6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one is CC(C)CN1C(=O)CCc2cc(N[C@@H](C)c3cc4cc(Cl)ccc4[nH]c3=O)ccc21.
What is the InChIKey of 6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one?
The InChIKey is ACYXRWFPQXCKBV-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-14(2)13-28-22-8-6-19(11-16(22)4-9-23(28)29)26-15(3)20-12-17-10-18(25)5-7-21(17)27-24(20)30/h5-8,10-12,14-15,26H,4,9,13H2,1-3H3,(H,27,30)/t15-/m0/s1.
What are the key properties of 6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one?
6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one has a molecular weight of 423.94 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 122637516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).