6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one

C23H24ClN5O — CID 134364006

IUPAC6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
SMILESCC(C)Cn1nccc1-c1ccnc(NC(C)c2cc3cc(Cl)ccc3[nH]c2=O)c1
InChIInChI=1S/C23H24ClN5O/c1-14(2)13-29-21(7-9-26-29)16-6-8-25-22(12-16)27-15(3)19-11-17-10-18(24)4-5-20(17)28-23(19)30/h4-12,14-15H,13H2,1-3H3,(H,25,27)(H,28,30)
InChIKeyWWWFRQPTFRLINL-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.27
Rot. Bonds6

About 6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one

6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one (PubChem CID 134364006) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is 6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
PubChem CID134364006
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
SMILESCC(C)Cn1nccc1-c1ccnc(NC(C)c2cc3cc(Cl)ccc3[nH]c2=O)c1
InChIInChI=1S/C23H24ClN5O/c1-14(2)13-29-21(7-9-26-29)16-6-8-25-22(12-16)27-15(3)19-11-17-10-18(24)4-5-20(17)28-23(19)30/h4-12,14-15H,13H2,1-3H3,(H,25,27)(H,28,30)
InChIKeyWWWFRQPTFRLINL-UHFFFAOYSA-N
XLogP5.27
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one (CID 134364006) is 6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one is CC(C)Cn1nccc1-c1ccnc(NC(C)c2cc3cc(Cl)ccc3[nH]c2=O)c1.
What is the InChIKey of 6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one?
The InChIKey is WWWFRQPTFRLINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c1-14(2)13-29-21(7-9-26-29)16-6-8-25-22(12-16)27-15(3)19-11-17-10-18(24)4-5-20(17)28-23(19)30/h4-12,14-15H,13H2,1-3H3,(H,25,27)(H,28,30).
What are the key properties of 6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one?
6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one has a molecular weight of 421.93 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 134364006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).