7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one

C26H31N3O2 — CID 135231666

IUPAC7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
SMILESC/C=C\c1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
InChIInChI=1S/C26H31N3O2/c1-2-7-22-8-3-4-9-25(22)29-17-15-28(16-18-29)14-5-6-19-31-23-12-10-21-11-13-26(30)27-24(21)20-23/h2-4,7-13,20H,5-6,14-19H2,1H3,(H,27,30)/b7-2-
InChIKeyPJSDDTADDJBPPO-UQCOIBPSSA-N
MW417.55 g/mol
LogP4.54
Rot. Bonds8

About 7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one

7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one (PubChem CID 135231666) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
PubChem CID135231666
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
SMILESC/C=C\c1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
InChIInChI=1S/C26H31N3O2/c1-2-7-22-8-3-4-9-25(22)29-17-15-28(16-18-29)14-5-6-19-31-23-12-10-21-11-13-26(30)27-24(21)20-23/h2-4,7-13,20H,5-6,14-19H2,1H3,(H,27,30)/b7-2-
InChIKeyPJSDDTADDJBPPO-UQCOIBPSSA-N
XLogP4.54
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 10812321
7-[4-[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 66633584
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
7-[4-[4-(2-propan-2-yloxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 56599011
2-[4-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-6-propylsulfanylbenzaldehyde
CID 126748195
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one;sulfuric acid
CID 66885812
N-methyl-4-[4-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-1-benzothiophene-2-carboxamide
CID 141457591
7-[4-[4-[2-(1-benzothiophen-4-yl)-1-benzothiophen-4-yl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 169434962
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]quinolin-2-one
CID 102602660
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one;cyclohexylmethylcarbamic acid
CID 71295456
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one;(2R,3S)-3-formyloxy-2,3-dihydroxypropanoic acid
CID 161471650

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one?
The IUPAC name of 7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one (CID 135231666) is 7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one is C/C=C\c1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1.
What is the InChIKey of 7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one?
The InChIKey is PJSDDTADDJBPPO-UQCOIBPSSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-2-7-22-8-3-4-9-25(22)29-17-15-28(16-18-29)14-5-6-19-31-23-12-10-21-11-13-26(30)27-24(21)20-23/h2-4,7-13,20H,5-6,14-19H2,1H3,(H,27,30)/b7-2-.
What are the key properties of 7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one?
7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one has a molecular weight of 417.55 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one is sourced from PubChem (CID 135231666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).