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

C20H23N3O2 — CID 2861821

IUPACN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)propanamide
SMILESCCC(=O)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C20H23N3O2/c1-2-16(24)22-23-13-21-18-15-9-5-4-8-14(15)12-20(17(18)19(23)25)10-6-3-7-11-20/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,22,24)
InChIKeyRGWGQAIGACORTH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.15
Rot. Bonds2

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

N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)propanamide (PubChem CID 2861821) 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'-cyclohexane]-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)propanamide
PubChem CID2861821
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)propanamide
SMILESCCC(=O)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C20H23N3O2/c1-2-16(24)22-23-13-21-18-15-9-5-4-8-14(15)12-20(17(18)19(23)25)10-6-3-7-11-20/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,22,24)
InChIKeyRGWGQAIGACORTH-UHFFFAOYSA-N
XLogP3.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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'-cyclohexane]-3-yl)propanamide?
The IUPAC name of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)propanamide (CID 2861821) is N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)propanamide.
What is the SMILES notation for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)propanamide?
The canonical SMILES for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)propanamide is CCC(=O)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)propanamide?
The InChIKey is RGWGQAIGACORTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-16(24)22-23-13-21-18-15-9-5-4-8-14(15)12-20(17(18)19(23)25)10-6-3-7-11-20/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,22,24).
What are the key properties of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)propanamide?
N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.15, 2 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'-cyclohexane]-3-yl)propanamide is sourced from PubChem (CID 2861821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).