CID 168910175

C18H20ClN3O3 — CID 168910175

IUPAC—
SMILESClc1nccc(-c2onc3c2CCC[C@@]32CCCCC23OCCO3)n1
InChIInChI=1S/C18H20ClN3O3/c19-16-20-9-5-13(21-16)14-12-4-3-7-17(15(12)22-25-14)6-1-2-8-18(17)23-10-11-24-18/h5,9H,1-4,6-8,10-11H2/t17-/m0/s1
InChIKeyRCSLWAROAXIDBN-KRWDZBQOSA-N
MW361.83 g/mol
LogP3.68
Rot. Bonds1

About CID 168910175

CID 168910175 (PubChem CID 168910175) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol.

Molecular Properties

Compound NameCID 168910175
PubChem CID168910175
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name—
SMILESClc1nccc(-c2onc3c2CCC[C@@]32CCCCC23OCCO3)n1
InChIInChI=1S/C18H20ClN3O3/c19-16-20-9-5-13(21-16)14-12-4-3-7-17(15(12)22-25-14)6-1-2-8-18(17)23-10-11-24-18/h5,9H,1-4,6-8,10-11H2/t17-/m0/s1
InChIKeyRCSLWAROAXIDBN-KRWDZBQOSA-N
XLogP3.68
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 168910175?
The IUPAC name of CID 168910175 (CID 168910175) is not available.
What is the SMILES notation for CID 168910175?
The canonical SMILES for CID 168910175 is Clc1nccc(-c2onc3c2CCC[C@@]32CCCCC23OCCO3)n1.
What is the InChIKey of CID 168910175?
The InChIKey is RCSLWAROAXIDBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-16-20-9-5-13(21-16)14-12-4-3-7-17(15(12)22-25-14)6-1-2-8-18(17)23-10-11-24-18/h5,9H,1-4,6-8,10-11H2/t17-/m0/s1.
What are the key properties of CID 168910175?
CID 168910175 has a molecular weight of 361.83 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168910175 is sourced from PubChem (CID 168910175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).