4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one

C25H24N4O2 — CID 59237476

IUPAC4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one
SMILESCN1CCN(c2cc(-c3ccc(Oc4cc(=O)[nH]c5ccccc45)cc3)ccn2)CC1
InChIInChI=1S/C25H24N4O2/c1-28-12-14-29(15-13-28)24-16-19(10-11-26-24)18-6-8-20(9-7-18)31-23-17-25(30)27-22-5-3-2-4-21(22)23/h2-11,16-17H,12-15H2,1H3,(H,27,30)
InChIKeyCTFHRSCJDBIHBJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.13
Rot. Bonds4

About 4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one

4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one (PubChem CID 59237476) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one
PubChem CID59237476
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one
SMILESCN1CCN(c2cc(-c3ccc(Oc4cc(=O)[nH]c5ccccc45)cc3)ccn2)CC1
InChIInChI=1S/C25H24N4O2/c1-28-12-14-29(15-13-28)24-16-19(10-11-26-24)18-6-8-20(9-7-18)31-23-17-25(30)27-22-5-3-2-4-21(22)23/h2-11,16-17H,12-15H2,1H3,(H,27,30)
InChIKeyCTFHRSCJDBIHBJ-UHFFFAOYSA-N
XLogP4.13
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,6-Bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea
CID 9893095
Smp-797
CID 9938311
1-[4-(Aminomethyl)-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride
CID 45263291
1-[4-Amino-2,6-bis(propan-2-yl)phenyl]-3-(1-butyl-2-oxo-4-{3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-1,2-dihydro-1,8-naphthyridin-3-yl)urea dihydrochloride
CID 45263310
Risimtinib
CID 145351764
6-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 10023176
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3237037
N-[4-({2-amino-3-[(4-methylpiperazin-1-yl)methyl]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218738
(2E)-N-[2-(4-Ethylpiperazin-1-YL)-4-methylquinolin-6-YL]-3-(4-methoxyphenyl)prop-2-enamide
CID 44403742

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one?
The IUPAC name of 4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one (CID 59237476) is 4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one?
The canonical SMILES for 4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one is CN1CCN(c2cc(-c3ccc(Oc4cc(=O)[nH]c5ccccc45)cc3)ccn2)CC1.
What is the InChIKey of 4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one?
The InChIKey is CTFHRSCJDBIHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-28-12-14-29(15-13-28)24-16-19(10-11-26-24)18-6-8-20(9-7-18)31-23-17-25(30)27-22-5-3-2-4-21(22)23/h2-11,16-17H,12-15H2,1H3,(H,27,30).
What are the key properties of 4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one?
4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one has a molecular weight of 412.49 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one is sourced from PubChem (CID 59237476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).