1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

C21H21BrN2O2 — CID 14969534

IUPAC1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESO=C(c1ccc(Br)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C21H21BrN2O2/c22-17-8-5-16(6-9-17)21(26)23-13-11-18(12-14-23)24-19-4-2-1-3-15(19)7-10-20(24)25/h1-6,8-9,18H,7,10-14H2
InChIKeyVRJCMPOFDHVQQI-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.03
Rot. Bonds2

About 1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 14969534) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID14969534
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC Name1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESO=C(c1ccc(Br)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C21H21BrN2O2/c22-17-8-5-16(6-9-17)21(26)23-13-11-18(12-14-23)24-19-4-2-1-3-15(19)7-10-20(24)25/h1-6,8-9,18H,7,10-14H2
InChIKeyVRJCMPOFDHVQQI-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 14969534) is 1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is O=C(c1ccc(Br)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1.
What is the InChIKey of 1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is VRJCMPOFDHVQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c22-17-8-5-16(6-9-17)21(26)23-13-11-18(12-14-23)24-19-4-2-1-3-15(19)7-10-20(24)25/h1-6,8-9,18H,7,10-14H2.
What are the key properties of 1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 413.32 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 14969534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).