6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one

C23H29N3O2 — CID 3067092

IUPAC6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1N1CCN(CCCc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C23H29N3O2/c1-28-22-7-3-2-6-21(22)26-15-13-25(14-16-26)12-4-5-18-8-10-20-19(17-18)9-11-23(27)24-20/h2-3,6-8,10,17H,4-5,9,11-16H2,1H3,(H,24,27)
InChIKeyKGUDNVAUAZHJCX-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.33
Rot. Bonds6

About 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one

6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3067092) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID3067092
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1N1CCN(CCCc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C23H29N3O2/c1-28-22-7-3-2-6-21(22)26-15-13-25(14-16-26)12-4-5-18-8-10-20-19(17-18)9-11-23(27)24-20/h2-3,6-8,10,17H,4-5,9,11-16H2,1H3,(H,24,27)
InChIKeyKGUDNVAUAZHJCX-UHFFFAOYSA-N
XLogP3.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one (CID 3067092) is 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one is COc1ccccc1N1CCN(CCCc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KGUDNVAUAZHJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-22-7-3-2-6-21(22)26-15-13-25(14-16-26)12-4-5-18-8-10-20-19(17-18)9-11-23(27)24-20/h2-3,6-8,10,17H,4-5,9,11-16H2,1H3,(H,24,27).
What are the key properties of 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3067092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).