butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one

C24H30ClN3O2 — CID 159786414

IUPACbutane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one
SMILESCCCC.Cc1cccc(N2CCN(Oc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl
InChIInChI=1S/C20H20ClN3O2.C4H10/c1-14-3-2-4-18(20(14)21)23-9-11-24(12-10-23)26-16-7-5-15-6-8-19(25)22-17(15)13-16;1-3-4-2/h2-8,13H,9-12H2,1H3,(H,22,25);3-4H2,1-2H3
InChIKeyNHZRYBWRHKTENJ-UHFFFAOYSA-N
MW427.98 g/mol
LogP5.41
Rot. Bonds4

About butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one

butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one (PubChem CID 159786414) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one.

Molecular Properties

Compound Namebutane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one
PubChem CID159786414
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Namebutane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one
SMILESCCCC.Cc1cccc(N2CCN(Oc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl
InChIInChI=1S/C20H20ClN3O2.C4H10/c1-14-3-2-4-18(20(14)21)23-9-11-24(12-10-23)26-16-7-5-15-6-8-19(25)22-17(15)13-16;1-3-4-2/h2-8,13H,9-12H2,1H3,(H,22,25);3-4H2,1-2H3
InChIKeyNHZRYBWRHKTENJ-UHFFFAOYSA-N
XLogP5.41
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.98
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(Z)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enoxy]-1H-quinolin-2-one
CID 11775114
7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 10812321
7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one
CID 143635724
7-ethoxy-1H-quinolin-2-one
CID 123474288
7-[4-[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 66633584
2-[4-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-6-propylsulfanylbenzaldehyde
CID 126748195
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one
CID 21073533
ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 135231666
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-1-hydroxybutoxy]-1H-quinolin-2-one
CID 134391639
7-[4-[4-(2-propan-2-yloxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 56599011
N-methyl-4-[4-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-1-benzothiophene-2-carboxamide
CID 141457591

Frequently Asked Questions

What is the IUPAC name of butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one?
The IUPAC name of butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one (CID 159786414) is butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one.
What is the SMILES notation for butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one?
The canonical SMILES for butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one is CCCC.Cc1cccc(N2CCN(Oc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl.
What is the InChIKey of butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one?
The InChIKey is NHZRYBWRHKTENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2.C4H10/c1-14-3-2-4-18(20(14)21)23-9-11-24(12-10-23)26-16-7-5-15-6-8-19(25)22-17(15)13-16;1-3-4-2/h2-8,13H,9-12H2,1H3,(H,22,25);3-4H2,1-2H3.
What are the key properties of butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one?
butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one has a molecular weight of 427.98 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one is sourced from PubChem (CID 159786414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).