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

C24H29N5O3 — CID 146648282

IUPACN-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccccc21
InChIInChI=1S/C24H29N5O3/c1-16(30)25-14-21(31)29-15-24(18-7-3-5-9-20(18)29)10-12-28(13-11-24)23-26-19-8-4-2-6-17(19)22(32)27-23/h3,5,7,9H,2,4,6,8,10-15H2,1H3,(H,25,30)(H,26,27,32)
InChIKeyCSYIJGJVHIJLSB-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.67
Rot. Bonds3

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

N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide (PubChem CID 146648282) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide
PubChem CID146648282
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccccc21
InChIInChI=1S/C24H29N5O3/c1-16(30)25-14-21(31)29-15-24(18-7-3-5-9-20(18)29)10-12-28(13-11-24)23-26-19-8-4-2-6-17(19)22(32)27-23/h3,5,7,9H,2,4,6,8,10-15H2,1H3,(H,25,30)(H,26,27,32)
InChIKeyCSYIJGJVHIJLSB-UHFFFAOYSA-N
XLogP1.67
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide (CID 146648282) is N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide is CC(=O)NCC(=O)N1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccccc21.
What is the InChIKey of N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide?
The InChIKey is CSYIJGJVHIJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16(30)25-14-21(31)29-15-24(18-7-3-5-9-20(18)29)10-12-28(13-11-24)23-26-19-8-4-2-6-17(19)22(32)27-23/h3,5,7,9H,2,4,6,8,10-15H2,1H3,(H,25,30)(H,26,27,32).
What are the key properties of N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide?
N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide has a molecular weight of 435.53 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide is sourced from PubChem (CID 146648282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).