7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

C26H35N3O3 — CID 15124098

IUPAC7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1
InChIInChI=1S/C26H35N3O3/c1-20(2)32-25-8-4-3-7-24(25)29-16-14-28(15-17-29)13-5-6-18-31-22-11-9-21-10-12-26(30)27-23(21)19-22/h3-4,7-9,11,19-20H,5-6,10,12-18H2,1-2H3,(H,27,30)
InChIKeyIYQPUWHLQQNKOW-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.34
Rot. Bonds9

About 7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 15124098) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID15124098
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1
InChIInChI=1S/C26H35N3O3/c1-20(2)32-25-8-4-3-7-24(25)29-16-14-28(15-17-29)13-5-6-18-31-22-11-9-21-10-12-26(30)27-23(21)19-22/h3-4,7-9,11,19-20H,5-6,10,12-18H2,1-2H3,(H,27,30)
InChIKeyIYQPUWHLQQNKOW-UHFFFAOYSA-N
XLogP4.34
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 15124098) is 7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is CC(C)Oc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1.
What is the InChIKey of 7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IYQPUWHLQQNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-20(2)32-25-8-4-3-7-24(25)29-16-14-28(15-17-29)13-5-6-18-31-22-11-9-21-10-12-26(30)27-23(21)19-22/h3-4,7-9,11,19-20H,5-6,10,12-18H2,1-2H3,(H,27,30).
What are the key properties of 7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 437.58 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 15124098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).