N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide

C23H29N5O2 — CID 146648518

IUPACN-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide
SMILESCNC(=O)CN1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccccc21
InChIInChI=1S/C23H29N5O2/c1-24-20(29)14-28-15-23(17-7-3-5-9-19(17)28)10-12-27(13-11-23)22-25-18-8-4-2-6-16(18)21(30)26-22/h3,5,7,9H,2,4,6,8,10-15H2,1H3,(H,24,29)(H,25,26,30)
InChIKeyJTGJGPZLOGCUAH-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.75
Rot. Bonds3

About N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide

N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide (PubChem CID 146648518) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide
PubChem CID146648518
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide
SMILESCNC(=O)CN1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccccc21
InChIInChI=1S/C23H29N5O2/c1-24-20(29)14-28-15-23(17-7-3-5-9-19(17)28)10-12-27(13-11-23)22-25-18-8-4-2-6-16(18)21(30)26-22/h3,5,7,9H,2,4,6,8,10-15H2,1H3,(H,24,29)(H,25,26,30)
InChIKeyJTGJGPZLOGCUAH-UHFFFAOYSA-N
XLogP1.75
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide (CID 146648518) is N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide is CNC(=O)CN1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccccc21.
What is the InChIKey of N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is JTGJGPZLOGCUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-24-20(29)14-28-15-23(17-7-3-5-9-19(17)28)10-12-27(13-11-23)22-25-18-8-4-2-6-16(18)21(30)26-22/h3,5,7,9H,2,4,6,8,10-15H2,1H3,(H,24,29)(H,25,26,30).
What are the key properties of N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide?
N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 146648518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).