N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

C20H21ClN4O2 — CID 53169537

IUPACN-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCN1c2ccccc2C(=O)NC12CCN(C(=O)Nc1ccccc1Cl)CC2
InChIInChI=1S/C20H21ClN4O2/c1-24-17-9-5-2-6-14(17)18(26)23-20(24)10-12-25(13-11-20)19(27)22-16-8-4-3-7-15(16)21/h2-9H,10-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyGUFANIBLPGUBRG-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.54
Rot. Bonds1

About N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 53169537) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID53169537
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCN1c2ccccc2C(=O)NC12CCN(C(=O)Nc1ccccc1Cl)CC2
InChIInChI=1S/C20H21ClN4O2/c1-24-17-9-5-2-6-14(17)18(26)23-20(24)10-12-25(13-11-20)19(27)22-16-8-4-3-7-15(16)21/h2-9H,10-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyGUFANIBLPGUBRG-UHFFFAOYSA-N
XLogP3.54
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (CID 53169537) is N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is CN1c2ccccc2C(=O)NC12CCN(C(=O)Nc1ccccc1Cl)CC2.
What is the InChIKey of N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is GUFANIBLPGUBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-24-17-9-5-2-6-14(17)18(26)23-20(24)10-12-25(13-11-20)19(27)22-16-8-4-3-7-15(16)21/h2-9H,10-13H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53169537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).