2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one

C19H18BrN3O — CID 168553125

IUPAC2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(Br)cc2N2CCCCC2)nc2ccccc12
InChIInChI=1S/C19H18BrN3O/c20-13-8-9-15(17(12-13)23-10-4-1-5-11-23)18-21-16-7-3-2-6-14(16)19(24)22-18/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,22,24)
InChIKeyIXLCPBJBDVUTBP-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.34
Rot. Bonds2

About 2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one

2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one (PubChem CID 168553125) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one
PubChem CID168553125
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(Br)cc2N2CCCCC2)nc2ccccc12
InChIInChI=1S/C19H18BrN3O/c20-13-8-9-15(17(12-13)23-10-4-1-5-11-23)18-21-16-7-3-2-6-14(16)19(24)22-18/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,22,24)
InChIKeyIXLCPBJBDVUTBP-UHFFFAOYSA-N
XLogP4.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-nitro-2-pyrrolidin-1-ylphenyl)-3H-quinazolin-4-one
CID 168514605
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 135579414
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
S-[5-bromo-2-(4-oxo-3H-quinazolin-2-yl)phenyl] N,N-dimethylcarbamothioate
CID 168552696
2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
CID 168553065
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3H-quinazolin-4-one
CID 135413659
2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
CID 168551801

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one (CID 168553125) is 2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(Br)cc2N2CCCCC2)nc2ccccc12.
What is the InChIKey of 2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one?
The InChIKey is IXLCPBJBDVUTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c20-13-8-9-15(17(12-13)23-10-4-1-5-11-23)18-21-16-7-3-2-6-14(16)19(24)22-18/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,22,24).
What are the key properties of 2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one?
2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one has a molecular weight of 384.28 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168553125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).