CID 58437175

C19H15NO7 — CID 58437175

IUPAC—
SMILES[N]C(=O)C1=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4CC3CC2CC1=O
InChIInChI=1S/C19H15NO7/c20-18(26)14-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)15(23)13(8)16(24)19(9,27)17(14)25/h1-3,8-9,21,23,25,27H,4-6H2/t8?,9?,19-/m0/s1
InChIKeyQIKCHAXEOHNVMJ-LANRQRAVSA-N
MW369.33 g/mol
LogP0.53
Rot. Bonds1

About CID 58437175

CID 58437175 (PubChem CID 58437175) has the molecular formula C19H15NO7 and a molecular weight of 369.33 g/mol.

Molecular Properties

Compound NameCID 58437175
PubChem CID58437175
Molecular FormulaC19H15NO7
Molecular Weight369.33 g/mol
Exact Mass369.08
IUPAC Name—
SMILES[N]C(=O)C1=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4CC3CC2CC1=O
InChIInChI=1S/C19H15NO7/c20-18(26)14-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)15(23)13(8)16(24)19(9,27)17(14)25/h1-3,8-9,21,23,25,27H,4-6H2/t8?,9?,19-/m0/s1
InChIKeyQIKCHAXEOHNVMJ-LANRQRAVSA-N
XLogP0.53
TPSA154.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(4aR,12aS)-4,4a,6,7-tetrahydroxy-3-methyl-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;formamide
CID 145466837
(4aS,5aR,12aR)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 177229224
1,11,12a-trihydroxy-3,12-dioxo-10-propoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 54722301
(4aS,11aS,12aR)-3,10-diacetyl-4,4a,6,7-tetrahydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione
CID 122680006
2-(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
CID 122505247
(4aS,5aR,12aR)-1,10,11,12a-tetrahydroxy-7-iodo-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 58647433
(4aS,5aR,12aR)-7-cyclobutyl-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 177229495
methyl 2-[[(4aS,11aR,12aS)-3-carbamoyl-4a,6,7-trihydroxy-4,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-2-yl]oxy]acetate
CID 122680341
ethyl 2-[[(4aS,11aR,12aS)-3-carbamoyl-4a,6,7-trihydroxy-4,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-2-yl]oxy]acetate
CID 58647918
1,6,6,10,11,12a-hexahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
CID 163444848
(4R,4aS,5aR,12aR)-4-[bis(trideuteriomethyl)amino]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 57347509
(4aR,11aR,12aS)-3-acetyl-4,4a,6,7-tetrahydroxy-10-(3-hydroxybut-1-ynyl)-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione
CID 122680464

Frequently Asked Questions

What is the IUPAC name of CID 58437175?
The IUPAC name of CID 58437175 (CID 58437175) is not available.
What is the SMILES notation for CID 58437175?
The canonical SMILES for CID 58437175 is [N]C(=O)C1=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4CC3CC2CC1=O.
What is the InChIKey of CID 58437175?
The InChIKey is QIKCHAXEOHNVMJ-LANRQRAVSA-N. The full InChI is InChI=1S/C19H15NO7/c20-18(26)14-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)15(23)13(8)16(24)19(9,27)17(14)25/h1-3,8-9,21,23,25,27H,4-6H2/t8?,9?,19-/m0/s1.
What are the key properties of CID 58437175?
CID 58437175 has a molecular weight of 369.33 g/mol, XLogP of 0.53, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58437175 is sourced from PubChem (CID 58437175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).