N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide

C20H23N3O2 — CID 657671

IUPACN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide
SMILESCCCC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C20H23N3O2/c1-2-7-16(24)22-23-13-21-18-15-9-4-3-8-14(15)12-20(10-5-6-11-20)17(18)19(23)25/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,22,24)
InChIKeyIOHOQMPGMKTRKV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.15
Rot. Bonds3

About N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide

N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide (PubChem CID 657671) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide
PubChem CID657671
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide
SMILESCCCC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C20H23N3O2/c1-2-7-16(24)22-23-13-21-18-15-9-4-3-8-14(15)12-20(10-5-6-11-20)17(18)19(23)25/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,22,24)
InChIKeyIOHOQMPGMKTRKV-UHFFFAOYSA-N
XLogP3.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide?
The IUPAC name of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide (CID 657671) is N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide.
What is the SMILES notation for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide?
The canonical SMILES for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide is CCCC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2.
What is the InChIKey of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide?
The InChIKey is IOHOQMPGMKTRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-7-16(24)22-23-13-21-18-15-9-4-3-8-14(15)12-20(10-5-6-11-20)17(18)19(23)25/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,22,24).
What are the key properties of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide?
N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide has a molecular weight of 337.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)butanamide is sourced from PubChem (CID 657671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).