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

C19H23N3O2 — CID 135468512

IUPAC2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESO=c1[nH]c(NCCO)nc2c1C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C19H23N3O2/c23-11-10-20-18-21-16-14-7-3-2-6-13(14)12-19(8-4-1-5-9-19)15(16)17(24)22-18/h2-3,6-7,23H,1,4-5,8-12H2,(H2,20,21,22,24)
InChIKeySDQBFQCDLUKPHJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.60
Rot. Bonds3

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

2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one (PubChem CID 135468512) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
PubChem CID135468512
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESO=c1[nH]c(NCCO)nc2c1C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C19H23N3O2/c23-11-10-20-18-21-16-14-7-3-2-6-13(14)12-19(8-4-1-5-9-19)15(16)17(24)22-18/h2-3,6-7,23H,1,4-5,8-12H2,(H2,20,21,22,24)
InChIKeySDQBFQCDLUKPHJ-UHFFFAOYSA-N
XLogP2.60
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxypropyl)amino]-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135435204
5-Ethyl-2-[(3-hydroxypropyl)amino]-5-methyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135478636
2-[(2-hydroxyethyl)amino]-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
CID 1824787
2-[(2-hydroxyethyl)amino]-5,5-dimethyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 1893664
2-[(3-hydroxypropyl)amino]-5,5-dimethyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 1917592
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-[(2-hydroxyethyl)amino]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
CID 2862957
5-Ethyl-2-[(2-hydroxyethyl)amino]-5-methyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135437484
1-Cyclohexyl-3-[(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-yl)amino]thiourea;ethanol
CID 135541143
5-ethyl-2-((3-hydroxypropyl)amino)-3,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 3762102
3,5-diethyl-2-(3-hydroxypropylamino)-5-methyl-6H-benzo[h]quinazolin-4-one
CID 3803861
3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one
CID 4264276
5,5-diethyl-2-[(3-hydroxypropyl)amino]-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135455091

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The IUPAC name of 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one (CID 135468512) is 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The canonical SMILES for 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one is O=c1[nH]c(NCCO)nc2c1C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The InChIKey is SDQBFQCDLUKPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-11-10-20-18-21-16-14-7-3-2-6-13(14)12-19(8-4-1-5-9-19)15(16)17(24)22-18/h2-3,6-7,23H,1,4-5,8-12H2,(H2,20,21,22,24).
What are the key properties of 2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
2-(2-hydroxyethylamino)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one has a molecular weight of 325.41 g/mol, XLogP of 2.60, 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'-cyclohexane]-4-one is sourced from PubChem (CID 135468512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).