7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

C24H26N2O6 — CID 177229466

IUPAC7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
SMILESCN(C)C1C(=O)C(C(N)=O)=C(O)C2=C(O)C3=C(O)c4c(O)ccc(C5CC5)c4CC3CC21
InChIInChI=1S/C24H26N2O6/c1-26(2)19-13-8-10-7-12-11(9-3-4-9)5-6-14(27)16(12)20(28)15(10)21(29)17(13)22(30)18(23(19)31)24(25)32/h5-6,9-10,13,19,27-30H,3-4,7-8H2,1-2H3,(H2,25,32)
InChIKeyCEVCNRJOGMOKIL-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.35
Rot. Bonds3

About 7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (PubChem CID 177229466) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
PubChem CID177229466
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
SMILESCN(C)C1C(=O)C(C(N)=O)=C(O)C2=C(O)C3=C(O)c4c(O)ccc(C5CC5)c4CC3CC21
InChIInChI=1S/C24H26N2O6/c1-26(2)19-13-8-10-7-12-11(9-3-4-9)5-6-14(27)16(12)20(28)15(10)21(29)17(13)22(30)18(23(19)31)24(25)32/h5-6,9-10,13,19,27-30H,3-4,7-8H2,1-2H3,(H2,25,32)
InChIKeyCEVCNRJOGMOKIL-UHFFFAOYSA-N
XLogP2.35
TPSA144.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-3,10,11-trihydroxy-1,12-dioxo-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide
CID 59037002
(1E,4S)-4-(dimethylamino)-1-hexan-2-ylidene-3,10,11-trihydroxy-12-oxo-7-piperidin-4-yl-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide
CID 173475486
(4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 54749604
(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 118886260
(4S)-4-(dimethylamino)-1,3,10,11-tetrahydroxy-1-methyl-7-[1-(2-methylpropyl)piperidin-4-yl]-12-oxo-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide
CID 70790813
(4R,4aR,5aS,12aS)-12a-amino-4,7-bis(dimethylamino)-1,10,11-trihydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 171726300
bis((4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide);oxalic acid
CID 174922378
(4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;oxalic acid
CID 137198510
(4S)-7-(3-acetamidopropanoyl)-4-(dimethylamino)-3,10,11-trihydroxy-1,12-dioxo-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide
CID 145496359
(4S,4aS,5aR,12aR)-7-(cyclopropylmethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;methane
CID 157157867
7-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 54680933
4-(dimethylamino)-3,10,11-trihydroxy-7-(4-methylpentyl)-1,12-dioxo-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide
CID 158516644

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The IUPAC name of 7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (CID 177229466) is 7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.
What is the SMILES notation for 7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The canonical SMILES for 7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is CN(C)C1C(=O)C(C(N)=O)=C(O)C2=C(O)C3=C(O)c4c(O)ccc(C5CC5)c4CC3CC21.
What is the InChIKey of 7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The InChIKey is CEVCNRJOGMOKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-26(2)19-13-8-10-7-12-11(9-3-4-9)5-6-14(27)16(12)20(28)15(10)21(29)17(13)22(30)18(23(19)31)24(25)32/h5-6,9-10,13,19,27-30H,3-4,7-8H2,1-2H3,(H2,25,32).
What are the key properties of 7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 2.35, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is sourced from PubChem (CID 177229466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).