1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C22H27N3O3 — CID 42875635

IUPAC1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCOc1ccc(CN2CCC3(CC2)NC(=O)c2cccc(C)c2N3)c(OC)c1
InChIInChI=1S/C22H27N3O3/c1-15-5-4-6-18-20(15)23-22(24-21(18)26)9-11-25(12-10-22)14-16-7-8-17(27-2)13-19(16)28-3/h4-8,13,23H,9-12,14H2,1-3H3,(H,24,26)
InChIKeyMBFBMGXVWRFHRA-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.16
Rot. Bonds4

About 1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875635) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875635
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCOc1ccc(CN2CCC3(CC2)NC(=O)c2cccc(C)c2N3)c(OC)c1
InChIInChI=1S/C22H27N3O3/c1-15-5-4-6-18-20(15)23-22(24-21(18)26)9-11-25(12-10-22)14-16-7-8-17(27-2)13-19(16)28-3/h4-8,13,23H,9-12,14H2,1-3H3,(H,24,26)
InChIKeyMBFBMGXVWRFHRA-UHFFFAOYSA-N
XLogP3.16
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one with MolForge

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Related Compounds

6-bromo-1'-[(2,4-dimethoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875646
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
(4S)-8-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97186659
1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 171670041
1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 40554527
1'-(4-bromophenyl)sulfonyl-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077889
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 74246127
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
1-[bis(4-fluorophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine;hydrate;hydrochloride
CID 21154125
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862

Frequently Asked Questions

What is the IUPAC name of 1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875635) is 1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is COc1ccc(CN2CCC3(CC2)NC(=O)c2cccc(C)c2N3)c(OC)c1.
What is the InChIKey of 1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is MBFBMGXVWRFHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-5-4-6-18-20(15)23-22(24-21(18)26)9-11-25(12-10-22)14-16-7-8-17(27-2)13-19(16)28-3/h4-8,13,23H,9-12,14H2,1-3H3,(H,24,26).
What are the key properties of 1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 381.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).