9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine

C16H17N3 — CID 163843169

IUPAC9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine
SMILESc1cc2c(n1)ncc1[nH]ccc(C3CCCCC3)c12
InChIInChI=1S/C16H17N3/c1-2-4-11(5-3-1)12-6-8-17-14-10-19-16-13(15(12)14)7-9-18-16/h6-11,17H,1-5H2
InChIKeyVRTHDGNSVMSSIT-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.16
Rot. Bonds1

About 9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine

9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine (PubChem CID 163843169) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine.

Molecular Properties

Compound Name9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine
PubChem CID163843169
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine
SMILESc1cc2c(n1)ncc1[nH]ccc(C3CCCCC3)c12
InChIInChI=1S/C16H17N3/c1-2-4-11(5-3-1)12-6-8-17-14-10-19-16-13(15(12)14)7-9-18-16/h6-11,17H,1-5H2
InChIKeyVRTHDGNSVMSSIT-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine?
The IUPAC name of 9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine (CID 163843169) is 9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine.
What is the SMILES notation for 9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine?
The canonical SMILES for 9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine is c1cc2c(n1)ncc1[nH]ccc(C3CCCCC3)c12.
What is the InChIKey of 9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine?
The InChIKey is VRTHDGNSVMSSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-4-11(5-3-1)12-6-8-17-14-10-19-16-13(15(12)14)7-9-18-16/h6-11,17H,1-5H2.
What are the key properties of 9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine?
9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine has a molecular weight of 251.33 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-6H-pyrrolo[3,2-f][1,7]naphthyridine is sourced from PubChem (CID 163843169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).