6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide

C19H18BrFN4O2 — CID 42875567

IUPAC6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
SMILESO=C1NC2(CCN(C(=O)Nc3ccccc3F)CC2)Nc2ccc(Br)cc21
InChIInChI=1S/C19H18BrFN4O2/c20-12-5-6-15-13(11-12)17(26)24-19(23-15)7-9-25(10-8-19)18(27)22-16-4-2-1-3-14(16)21/h1-6,11,23H,7-10H2,(H,22,27)(H,24,26)
InChIKeyHKZMGZOHHCPDTC-UHFFFAOYSA-N
MW433.28 g/mol
LogP3.77
Rot. Bonds1

About 6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide

6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 42875567) has the molecular formula C19H18BrFN4O2 and a molecular weight of 433.28 g/mol. Its IUPAC name is 6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID42875567
Molecular FormulaC19H18BrFN4O2
Molecular Weight433.28 g/mol
Exact Mass432.06
IUPAC Name6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
SMILESO=C1NC2(CCN(C(=O)Nc3ccccc3F)CC2)Nc2ccc(Br)cc21
InChIInChI=1S/C19H18BrFN4O2/c20-12-5-6-15-13(11-12)17(26)24-19(23-15)7-9-25(10-8-19)18(27)22-16-4-2-1-3-14(16)21/h1-6,11,23H,7-10H2,(H,22,27)(H,24,26)
InChIKeyHKZMGZOHHCPDTC-UHFFFAOYSA-N
XLogP3.77
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.28
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-difluoro-N-(2-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875576
6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077773
N-(2,4-dimethylphenyl)-6,7-difluoro-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46077885
6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875577
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46169529
6-bromo-1'-(3,5-dimethoxynaphthalene-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 59144648
6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077822
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24716899
7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169684

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide (CID 42875567) is 6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide is O=C1NC2(CCN(C(=O)Nc3ccccc3F)CC2)Nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is HKZMGZOHHCPDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN4O2/c20-12-5-6-15-13(11-12)17(26)24-19(23-15)7-9-25(10-8-19)18(27)22-16-4-2-1-3-14(16)21/h1-6,11,23H,7-10H2,(H,22,27)(H,24,26).
What are the key properties of 6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 433.28 g/mol, XLogP of 3.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 42875567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).