6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid

C18H16N2O4 — CID 118867455

IUPAC6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid
SMILESCn1ccc2ccc3c(c21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H16N2O4/c1-20-8-7-9-5-6-10-11(15(9)20)3-2-4-12-14(10)19-17(22)13(16(12)21)18(23)24/h5-8H,2-4H2,1H3,(H,23,24)(H2,19,21,22)
InChIKeySIEYAKVFEGBJRY-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.43
Rot. Bonds1

About 6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid

6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid (PubChem CID 118867455) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid
PubChem CID118867455
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid
SMILESCn1ccc2ccc3c(c21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H16N2O4/c1-20-8-7-9-5-6-10-11(15(9)20)3-2-4-12-14(10)19-17(22)13(16(12)21)18(23)24/h5-8H,2-4H2,1H3,(H,23,24)(H2,19,21,22)
InChIKeySIEYAKVFEGBJRY-UHFFFAOYSA-N
XLogP2.43
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid with MolForge

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Related Compounds

14-[(dimethylamino)methyl]-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid
CID 91933850
6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid
CID 118867489
13-(1,4-diazepan-1-yl)-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid
CID 71285082
6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride
CID 71285569
13-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid
CID 71285419
6-hydroxy-16-methyl-15-[[(1-methylcyclopropyl)amino]methyl]-4-oxo-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid;hydrochloride
CID 118867467
13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid
CID 71285296
11-hydroxy-5-(3-methoxypropyl)-13-oxo-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11-tetraene-12-carboxylic acid
CID 121458203
6-hydroxy-14-methyl-15-[(2-methylpropylamino)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
CID 71285223
6-hydroxy-14-methyl-4-oxo-15-[(prop-2-enylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
CID 89426800
6-hydroxy-14-methyl-4-oxo-15-[(2-pyrrolidin-1-ylethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;dihydrochloride
CID 89423081
15-(butylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
CID 71284911

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid?
The IUPAC name of 6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid (CID 118867455) is 6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid is Cn1ccc2ccc3c(c21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid?
The InChIKey is SIEYAKVFEGBJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-20-8-7-9-5-6-10-11(15(9)20)3-2-4-12-14(10)19-17(22)13(16(12)21)18(23)24/h5-8H,2-4H2,1H3,(H,23,24)(H2,19,21,22).
What are the key properties of 6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid?
6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 2.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-13-methyl-4-oxo-3,13-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),14,17-hexaene-5-carboxylic acid is sourced from PubChem (CID 118867455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).