2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

C18H21N3O2 — CID 135463746

IUPAC2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESO=c1[nH]c(NCCO)nc2c1C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C18H21N3O2/c22-10-9-19-17-20-15-13-6-2-1-5-12(13)11-18(7-3-4-8-18)14(15)16(23)21-17/h1-2,5-6,22H,3-4,7-11H2,(H2,19,20,21,23)
InChIKeyXUTYIDAGCCGARZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.21
Rot. Bonds3

About 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one (PubChem CID 135463746) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
PubChem CID135463746
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESO=c1[nH]c(NCCO)nc2c1C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C18H21N3O2/c22-10-9-19-17-20-15-13-6-2-1-5-12(13)11-18(7-3-4-8-18)14(15)16(23)21-17/h1-2,5-6,22H,3-4,7-11H2,(H2,19,20,21,23)
InChIKeyXUTYIDAGCCGARZ-UHFFFAOYSA-N
XLogP2.21
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The IUPAC name of 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one (CID 135463746) is 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The canonical SMILES for 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one is O=c1[nH]c(NCCO)nc2c1C1(CCCC1)Cc1ccccc1-2.
What is the InChIKey of 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The InChIKey is XUTYIDAGCCGARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-10-9-19-17-20-15-13-6-2-1-5-12(13)11-18(7-3-4-8-18)14(15)16(23)21-17/h1-2,5-6,22H,3-4,7-11H2,(H2,19,20,21,23).
What are the key properties of 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one has a molecular weight of 311.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one is sourced from PubChem (CID 135463746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).