8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide

C19H25ClN4O2 — CID 53169652

IUPAC8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
SMILESO=C1NC2(CCN(C(=O)NC3CCCCC3)CC2)Nc2c(Cl)cccc21
InChIInChI=1S/C19H25ClN4O2/c20-15-8-4-7-14-16(15)22-19(23-17(14)25)9-11-24(12-10-19)18(26)21-13-5-2-1-3-6-13/h4,7-8,13,22H,1-3,5-6,9-12H2,(H,21,26)(H,23,25)
InChIKeyJZLOLKGZIYMGGP-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.33
Rot. Bonds1

About 8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide

8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 53169652) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID53169652
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
SMILESO=C1NC2(CCN(C(=O)NC3CCCCC3)CC2)Nc2c(Cl)cccc21
InChIInChI=1S/C19H25ClN4O2/c20-15-8-4-7-14-16(15)22-19(23-17(14)25)9-11-24(12-10-19)18(26)21-13-5-2-1-3-6-13/h4,7-8,13,22H,1-3,5-6,9-12H2,(H,21,26)(H,23,25)
InChIKeyJZLOLKGZIYMGGP-UHFFFAOYSA-N
XLogP3.33
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
2-(3-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 3117363
Cloperidone
CID 10675
Pelanserin
CID 65435
Mls002702065
CID 300570
3-(3-chlorophenyl)quinazoline-2,4(1H,3H)-dione
CID 659914
3-(4-chlorobenzyl)-N-(3-(4-methylpiperidin-1-yl)propyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 6616154
Cloperidone Hydrochloride
CID 10674
Otaplimastat
CID 44229378
1-(4-Chloro-benzyl)-2,2-diisobutyl-2,3-dihydro-1H-quinazolin-4-one (2af)
CID 126962549
3-(4-chlorobenzyl)-N-(3-(2-ethylpiperidin-1-yl)propyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 16066792
3-(4-chlorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)ethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 25196743

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide (CID 53169652) is 8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide is O=C1NC2(CCN(C(=O)NC3CCCCC3)CC2)Nc2c(Cl)cccc21.
What is the InChIKey of 8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is JZLOLKGZIYMGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c20-15-8-4-7-14-16(15)22-19(23-17(14)25)9-11-24(12-10-19)18(26)21-13-5-2-1-3-6-13/h4,7-8,13,22H,1-3,5-6,9-12H2,(H,21,26)(H,23,25).
What are the key properties of 8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 3.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53169652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).