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

C19H19Cl2N3O — CID 42875608

IUPAC7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(Cc3ccc(Cl)cc3)CC2)Nc2cc(Cl)ccc21
InChIInChI=1S/C19H19Cl2N3O/c20-14-3-1-13(2-4-14)12-24-9-7-19(8-10-24)22-17-11-15(21)5-6-16(17)18(25)23-19/h1-6,11,22H,7-10,12H2,(H,23,25)
InChIKeyZTDLYIPVEGLGNG-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.14
Rot. Bonds2

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

7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875608) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875608
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(Cc3ccc(Cl)cc3)CC2)Nc2cc(Cl)ccc21
InChIInChI=1S/C19H19Cl2N3O/c20-14-3-1-13(2-4-14)12-24-9-7-19(8-10-24)22-17-11-15(21)5-6-16(17)18(25)23-19/h1-6,11,22H,7-10,12H2,(H,23,25)
InChIKeyZTDLYIPVEGLGNG-UHFFFAOYSA-N
XLogP4.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875609
6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875623
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
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 95853385
1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 136577906
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 74975569
CID 110211884
CID 110211884
1'-[(2,3-difluorophenyl)methyl]-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077929
1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
CID 86180111

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875608) is 7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(Cc3ccc(Cl)cc3)CC2)Nc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is ZTDLYIPVEGLGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c20-14-3-1-13(2-4-14)12-24-9-7-19(8-10-24)22-17-11-15(21)5-6-16(17)18(25)23-19/h1-6,11,22H,7-10,12H2,(H,23,25).
What are the key properties of 7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 376.29 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).