7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C20H22ClN3O3 — CID 42875609

IUPAC7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCOc1cc(CN2CCC3(CC2)NC(=O)c2ccc(Cl)cc2N3)ccc1O
InChIInChI=1S/C20H22ClN3O3/c1-27-18-10-13(2-5-17(18)25)12-24-8-6-20(7-9-24)22-16-11-14(21)3-4-15(16)19(26)23-20/h2-5,10-11,22,25H,6-9,12H2,1H3,(H,23,26)
InChIKeyGDKLHZMLGODFMZ-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.20
Rot. Bonds3

About 7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875609) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875609
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCOc1cc(CN2CCC3(CC2)NC(=O)c2ccc(Cl)cc2N3)ccc1O
InChIInChI=1S/C20H22ClN3O3/c1-27-18-10-13(2-5-17(18)25)12-24-8-6-20(7-9-24)22-16-11-14(21)3-4-15(16)19(26)23-20/h2-5,10-11,22,25H,6-9,12H2,1H3,(H,23,26)
InChIKeyGDKLHZMLGODFMZ-UHFFFAOYSA-N
XLogP3.20
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one with MolForge

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Related Compounds

7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875608
1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 171670041
7-chloro-1'-(3,5-dimethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875425
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82982082
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875623
3-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65054045
3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055084
6-chloro-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 78212058
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82980620
2-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65062599
ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-4-carboxylate
CID 25452013

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875609) is 7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is COc1cc(CN2CCC3(CC2)NC(=O)c2ccc(Cl)cc2N3)ccc1O.
What is the InChIKey of 7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is GDKLHZMLGODFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-27-18-10-13(2-5-17(18)25)12-24-8-6-20(7-9-24)22-16-11-14(21)3-4-15(16)19(26)23-20/h2-5,10-11,22,25H,6-9,12H2,1H3,(H,23,26).
What are the key properties of 7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 387.87 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).