6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one

C26H30N2O3 — CID 90014464

IUPAC6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C(Cc1ccc(C2CC2)cc1)CN1CCC(Oc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C26H30N2O3/c29-22(15-18-1-3-19(4-2-18)20-5-6-20)17-28-13-11-23(12-14-28)31-24-8-9-25-21(16-24)7-10-26(30)27-25/h1-4,8-9,16,20,23H,5-7,10-15,17H2,(H,27,30)
InChIKeyBSZKKYHGLCOAPE-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.10
Rot. Bonds7

About 6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one

6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 90014464) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID90014464
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C(Cc1ccc(C2CC2)cc1)CN1CCC(Oc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C26H30N2O3/c29-22(15-18-1-3-19(4-2-18)20-5-6-20)17-28-13-11-23(12-14-28)31-24-8-9-25-21(16-24)7-10-26(30)27-25/h1-4,8-9,16,20,23H,5-7,10-15,17H2,(H,27,30)
InChIKeyBSZKKYHGLCOAPE-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one (CID 90014464) is 6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one is O=C(Cc1ccc(C2CC2)cc1)CN1CCC(Oc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BSZKKYHGLCOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c29-22(15-18-1-3-19(4-2-18)20-5-6-20)17-28-13-11-23(12-14-28)31-24-8-9-25-21(16-24)7-10-26(30)27-25/h1-4,8-9,16,20,23H,5-7,10-15,17H2,(H,27,30).
What are the key properties of 6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 418.54 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 90014464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).