(3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one

C13H10N4O3 — CID 139074955

IUPAC(3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one
SMILESO=C1N[C@@]2(O)c3cccnc3-c3ncccc3[C@@]2(O)N1
InChIInChI=1S/C13H10N4O3/c18-11-16-12(19)7-3-1-5-14-9(7)10-8(4-2-6-15-10)13(12,20)17-11/h1-6,19-20H,(H2,16,17,18)/t12-,13+
InChIKeyPTOKWMUAWRRUDL-BETUJISGSA-N
MW270.25 g/mol
LogP-0.24
Rot. Bonds

About (3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one

(3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one (PubChem CID 139074955) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is (3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one.

Molecular Properties

Compound Name(3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one
PubChem CID139074955
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name(3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one
SMILESO=C1N[C@@]2(O)c3cccnc3-c3ncccc3[C@@]2(O)N1
InChIInChI=1S/C13H10N4O3/c18-11-16-12(19)7-3-1-5-14-9(7)10-8(4-2-6-15-10)13(12,20)17-11/h1-6,19-20H,(H2,16,17,18)/t12-,13+
InChIKeyPTOKWMUAWRRUDL-BETUJISGSA-N
XLogP-0.24
TPSA107.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one with MolForge

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Related Compounds

hexakis(6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione);bis(nickel(2+));tetrachloride;tetracosahydrate
CID 139204325
cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine
CID 59027192
cobalt(3+);bis(6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione);phosphate;dihydrate
CID 139194727
(4R,5R)-4,5-dihydroxy-4,5-diphenylimidazolidin-2-one
CID 729895
spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
CID 100944087
(5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol
CID 102167961
8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine
CID 10754733
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
CID 138579856
CID 138579856
4,7-phenanthroline-5,6-dione
CID 6764
1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione
CID 23456628
spiro[indeno[1,2-b]pyridine-5,3'-pyrrolidine]-2',5'-dione
CID 14075046

Frequently Asked Questions

What is the IUPAC name of (3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one?
The IUPAC name of (3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one (CID 139074955) is (3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one.
What is the SMILES notation for (3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one?
The canonical SMILES for (3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one is O=C1N[C@@]2(O)c3cccnc3-c3ncccc3[C@@]2(O)N1.
What is the InChIKey of (3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one?
The InChIKey is PTOKWMUAWRRUDL-BETUJISGSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-11-16-12(19)7-3-1-5-14-9(7)10-8(4-2-6-15-10)13(12,20)17-11/h1-6,19-20H,(H2,16,17,18)/t12-,13+.
What are the key properties of (3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one?
(3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one has a molecular weight of 270.25 g/mol, XLogP of -0.24, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one is sourced from PubChem (CID 139074955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).