CID 10409748

C17H17ClN3 — CID 10409748

IUPAC—
SMILESCNC[C]1[CH][CH][CH][C]1CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H17ClN3/c1-19-10-12-3-2-4-13(12)11-21-16-7-8-20-17-9-14(18)5-6-15(16)17/h2-9,19H,10-11H2,1H3,(H,20,21)
InChIKeyRGOUJWWCQXXEBX-UHFFFAOYSA-N
MW298.80 g/mol
LogP3.29
Rot. Bonds5

About CID 10409748

CID 10409748 (PubChem CID 10409748) has the molecular formula C17H17ClN3 and a molecular weight of 298.80 g/mol.

Molecular Properties

Compound NameCID 10409748
PubChem CID10409748
Molecular FormulaC17H17ClN3
Molecular Weight298.80 g/mol
Exact Mass298.11
IUPAC Name—
SMILESCNC[C]1[CH][CH][CH][C]1CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H17ClN3/c1-19-10-12-3-2-4-13(12)11-21-16-7-8-20-17-9-14(18)5-6-15(16)17/h2-9,19H,10-11H2,1H3,(H,20,21)
InChIKeyRGOUJWWCQXXEBX-UHFFFAOYSA-N
XLogP3.29
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 10409748?
The IUPAC name of CID 10409748 (CID 10409748) is not available.
What is the SMILES notation for CID 10409748?
The canonical SMILES for CID 10409748 is CNC[C]1[CH][CH][CH][C]1CNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of CID 10409748?
The InChIKey is RGOUJWWCQXXEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN3/c1-19-10-12-3-2-4-13(12)11-21-16-7-8-20-17-9-14(18)5-6-15(16)17/h2-9,19H,10-11H2,1H3,(H,20,21).
What are the key properties of CID 10409748?
CID 10409748 has a molecular weight of 298.80 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10409748 is sourced from PubChem (CID 10409748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).