6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine

C19H21N5O — CID 146469926

IUPAC6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine
SMILESCCc1ccncc1-c1cc(N)c2nnc(NC3CCOC3)cc2c1
InChIInChI=1S/C19H21N5O/c1-2-12-3-5-21-10-16(12)13-7-14-9-18(22-15-4-6-25-11-15)23-24-19(14)17(20)8-13/h3,5,7-10,15H,2,4,6,11,20H2,1H3,(H,22,23)
InChIKeyFKDILQSQZRKLRH-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.04
Rot. Bonds4

About 6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine

6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine (PubChem CID 146469926) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine.

Molecular Properties

Compound Name6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine
PubChem CID146469926
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine
SMILESCCc1ccncc1-c1cc(N)c2nnc(NC3CCOC3)cc2c1
InChIInChI=1S/C19H21N5O/c1-2-12-3-5-21-10-16(12)13-7-14-9-18(22-15-4-6-25-11-15)23-24-19(14)17(20)8-13/h3,5,7-10,15H,2,4,6,11,20H2,1H3,(H,22,23)
InChIKeyFKDILQSQZRKLRH-UHFFFAOYSA-N
XLogP3.04
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine?
The IUPAC name of 6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine (CID 146469926) is 6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine.
What is the SMILES notation for 6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine?
The canonical SMILES for 6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine is CCc1ccncc1-c1cc(N)c2nnc(NC3CCOC3)cc2c1.
What is the InChIKey of 6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine?
The InChIKey is FKDILQSQZRKLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-12-3-5-21-10-16(12)13-7-14-9-18(22-15-4-6-25-11-15)23-24-19(14)17(20)8-13/h3,5,7-10,15H,2,4,6,11,20H2,1H3,(H,22,23).
What are the key properties of 6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine?
6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine has a molecular weight of 335.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine is sourced from PubChem (CID 146469926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).