5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one

C24H27N3O2 — CID 2946503

IUPAC5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccc(C)cc3)c(=O)c21
InChIInChI=1S/C24H27N3O2/c1-4-24(3)15-17-7-5-6-8-19(17)21-20(24)22(29)27(23(26-21)25-13-14-28)18-11-9-16(2)10-12-18/h5-12,28H,4,13-15H2,1-3H3,(H,25,26)
InChIKeyBXMLHYFZRQZDSF-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.84
Rot. Bonds5

About 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one

5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one (PubChem CID 2946503) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one
PubChem CID2946503
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccc(C)cc3)c(=O)c21
InChIInChI=1S/C24H27N3O2/c1-4-24(3)15-17-7-5-6-8-19(17)21-20(24)22(29)27(23(26-21)25-13-14-28)18-11-9-16(2)10-12-18/h5-12,28H,4,13-15H2,1-3H3,(H,25,26)
InChIKeyBXMLHYFZRQZDSF-UHFFFAOYSA-N
XLogP3.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.84
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
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-((3-hydroxypropyl)amino)-5-methyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 3526439
5-benzyl-2-(3-ethyl-4-methylphenylamino)-6-hydroxypyrimidin-4(3H)-one
CID 44407516
5,5-Diethyl-2-(2-hydroxyethylamino)-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135463186

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one?
The IUPAC name of 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one (CID 2946503) is 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one.
What is the SMILES notation for 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one?
The canonical SMILES for 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one is CCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccc(C)cc3)c(=O)c21.
What is the InChIKey of 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one?
The InChIKey is BXMLHYFZRQZDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-24(3)15-17-7-5-6-8-19(17)21-20(24)22(29)27(23(26-21)25-13-14-28)18-11-9-16(2)10-12-18/h5-12,28H,4,13-15H2,1-3H3,(H,25,26).
What are the key properties of 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one?
5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one has a molecular weight of 389.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one is sourced from PubChem (CID 2946503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).