15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione

C23H27N5O5 — CID 135462408

IUPAC15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione
SMILESCN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4cc(=O)c(O)cc4c(O)c1c23
InChIInChI=1S/C23H27N5O5/c1-25(2)8-7-24-15-6-5-13-20-19(15)21(31)14-11-17(29)18(30)12-16(14)28(20)23(33)27(22(13)32)10-9-26(3)4/h5-6,11-12,24,29,31H,7-10H2,1-4H3
InChIKeyJPVWVXOSOREHIV-UHFFFAOYSA-N
MW453.50 g/mol
LogP0.51
Rot. Bonds7

About 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione

15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione (PubChem CID 135462408) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione.

Molecular Properties

Compound Name15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione
PubChem CID135462408
Molecular FormulaC23H27N5O5
Molecular Weight453.50 g/mol
Exact Mass453.20
IUPAC Name15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione
SMILESCN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4cc(=O)c(O)cc4c(O)c1c23
InChIInChI=1S/C23H27N5O5/c1-25(2)8-7-24-15-6-5-13-20-19(15)21(31)14-11-17(29)18(30)12-16(14)28(20)23(33)27(22(13)32)10-9-26(3)4/h5-6,11-12,24,29,31H,7-10H2,1-4H3
InChIKeyJPVWVXOSOREHIV-UHFFFAOYSA-N
XLogP0.51
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione with MolForge

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Related Compounds

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1-Methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione
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4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-methylbenzoic acid
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3-[[7-(Cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]methyl]benzoic acid
CID 59311236
3-[[7-(Cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]methyl]benzoic acid
CID 59311240
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CID 174524971
1,8-Dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione
CID 171990232
3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid
CID 14116712
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CID 19092311
3-Benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
CID 59926339
N-[(2S)-2-[cyclopropanecarbonyl(ethyl)amino]propyl]-4-[[6-(1-hydroxyethyl)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-N-methylcyclohexane-1-carboxamide
CID 68377090
3-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione?
The IUPAC name of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione (CID 135462408) is 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione.
What is the SMILES notation for 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione?
The canonical SMILES for 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione is CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4cc(=O)c(O)cc4c(O)c1c23.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione?
The InChIKey is JPVWVXOSOREHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5/c1-25(2)8-7-24-15-6-5-13-20-19(15)21(31)14-11-17(29)18(30)12-16(14)28(20)23(33)27(22(13)32)10-9-26(3)4/h5-6,11-12,24,29,31H,7-10H2,1-4H3.
What are the key properties of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione?
15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione has a molecular weight of 453.50 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione is sourced from PubChem (CID 135462408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).