3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol

C21H24N4O — CID 95794035

IUPAC3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol
SMILESOc1cccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)c1
InChIInChI=1S/C21H24N4O/c26-17-5-3-4-16(14-17)15-24-11-8-21(9-12-24)23-19-7-2-1-6-18(19)20-22-10-13-25(20)21/h1-7,14,23,26H,8-13,15H2
InChIKeyFPFXIUSNMGCYMA-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.87
Rot. Bonds2

About 3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol

3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol (PubChem CID 95794035) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol.

Molecular Properties

Compound Name3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol
PubChem CID95794035
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol
SMILESOc1cccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)c1
InChIInChI=1S/C21H24N4O/c26-17-5-3-4-16(14-17)15-24-11-8-21(9-12-24)23-19-7-2-1-6-18(19)20-22-10-13-25(20)21/h1-7,14,23,26H,8-13,15H2
InChIKeyFPFXIUSNMGCYMA-UHFFFAOYSA-N
XLogP2.87
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol with MolForge

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Related Compounds

1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
CID 95794064
1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
CID 95794073
1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
CID 95794058
1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine]
CID 95803367
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
CID 82983068
9-chloro-1'-[(1,3-dimethylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine]
CID 95803371
1-[(3-hydroxyphenyl)methyl]-4-methylpiperidine-4-carbothioamide
CID 107161649
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
5-methyl-5-pyridin-4-yl-3,6-dihydro-2H-imidazo[1,2-c]quinazoline
CID 70550919
3-(10H-phenazin-5-ylmethyl)phenol
CID 166831054
3-[[4-(2-bromoethyl)piperazin-1-yl]methyl]phenol
CID 80673903
(1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56915599

Frequently Asked Questions

What is the IUPAC name of 3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol?
The IUPAC name of 3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol (CID 95794035) is 3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol.
What is the SMILES notation for 3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol?
The canonical SMILES for 3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol is Oc1cccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)c1.
What is the InChIKey of 3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol?
The InChIKey is FPFXIUSNMGCYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-17-5-3-4-16(14-17)15-24-11-8-21(9-12-24)23-19-7-2-1-6-18(19)20-22-10-13-25(20)21/h1-7,14,23,26H,8-13,15H2.
What are the key properties of 3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol?
3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol has a molecular weight of 348.45 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]-1'-ylmethyl)phenol is sourced from PubChem (CID 95794035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).