2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol

C16H17N3O2S — CID 10286449

IUPAC2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
SMILESCc1nc2c3c(ccn2c1C)C(O)C(O)C(c1ccsc1)N3
InChIInChI=1S/C16H17N3O2S/c1-8-9(2)19-5-3-11-13(16(19)17-8)18-12(15(21)14(11)20)10-4-6-22-7-10/h3-7,12,14-15,18,20-21H,1-2H3
InChIKeyVJJBEVBSOSTEAG-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.57
Rot. Bonds1

About 2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol

2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol (PubChem CID 10286449) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol.

Molecular Properties

Compound Name2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
PubChem CID10286449
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
SMILESCc1nc2c3c(ccn2c1C)C(O)C(O)C(c1ccsc1)N3
InChIInChI=1S/C16H17N3O2S/c1-8-9(2)19-5-3-11-13(16(19)17-8)18-12(15(21)14(11)20)10-4-6-22-7-10/h3-7,12,14-15,18,20-21H,1-2H3
InChIKeyVJJBEVBSOSTEAG-UHFFFAOYSA-N
XLogP2.57
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol?
The IUPAC name of 2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol (CID 10286449) is 2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol.
What is the SMILES notation for 2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol?
The canonical SMILES for 2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol is Cc1nc2c3c(ccn2c1C)C(O)C(O)C(c1ccsc1)N3.
What is the InChIKey of 2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol?
The InChIKey is VJJBEVBSOSTEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-8-9(2)19-5-3-11-13(16(19)17-8)18-12(15(21)14(11)20)10-4-6-22-7-10/h3-7,12,14-15,18,20-21H,1-2H3.
What are the key properties of 2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol?
2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol has a molecular weight of 315.40 g/mol, XLogP of 2.57, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol is sourced from PubChem (CID 10286449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).