2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

C25H27N3O2 — CID 2861843

IUPAC2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESO=c1c2c(nc(NCCO)n1-c1ccccc1)-c1ccccc1CC21CCCCC1
InChIInChI=1S/C25H27N3O2/c29-16-15-26-24-27-22-20-12-6-5-9-18(20)17-25(13-7-2-8-14-25)21(22)23(30)28(24)19-10-3-1-4-11-19/h1,3-6,9-12,29H,2,7-8,13-17H2,(H,26,27)
InChIKeyJZYNHZRDVIXGJN-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.06
Rot. Bonds4

About 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (PubChem CID 2861843) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
PubChem CID2861843
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESO=c1c2c(nc(NCCO)n1-c1ccccc1)-c1ccccc1CC21CCCCC1
InChIInChI=1S/C25H27N3O2/c29-16-15-26-24-27-22-20-12-6-5-9-18(20)17-25(13-7-2-8-14-25)21(22)23(30)28(24)19-10-3-1-4-11-19/h1,3-6,9-12,29H,2,7-8,13-17H2,(H,26,27)
InChIKeyJZYNHZRDVIXGJN-UHFFFAOYSA-N
XLogP4.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594506
2-[(3-hydroxypropyl)amino]-5,5-dimethyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 1917592
5-Ethyl-2-[(2-hydroxyethyl)amino]-5-methyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135437484
1-(2-hydroxyethyl)-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 155553178
3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one
CID 4264276
2-[(2-hydroxyethyl)amino]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
CID 135468512
5-Ethyl-2-((2-hydroxyethyl)amino)-5-methyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 662521
3-(cyclohexylmethyl)-2-(2-hydroxyethylamino)-4-spiro[6H-benzo[h]quinazoline-5,1''-cyclopentane]one
CID 1908649
5-ethyl-2-[(2-hydroxyethyl)amino]-5-methyl-3-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 2946503
5-Ethyl-2-((3-hydroxypropyl)amino)-5-methyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 3526439

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The IUPAC name of 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CID 2861843) is 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The canonical SMILES for 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is O=c1c2c(nc(NCCO)n1-c1ccccc1)-c1ccccc1CC21CCCCC1.
What is the InChIKey of 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The InChIKey is JZYNHZRDVIXGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-16-15-26-24-27-22-20-12-6-5-9-18(20)17-25(13-7-2-8-14-25)21(22)23(30)28(24)19-10-3-1-4-11-19/h1,3-6,9-12,29H,2,7-8,13-17H2,(H,26,27).
What are the key properties of 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one has a molecular weight of 401.51 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is sourced from PubChem (CID 2861843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).