CID 164528332

C20H28ClN — CID 164528332

IUPAC—
SMILESCc1cnc2c(c1Cl)C1(CCCCC1)CCC21CCCCC1
InChIInChI=1S/C20H28ClN/c1-15-14-22-18-16(17(15)21)19(8-4-2-5-9-19)12-13-20(18)10-6-3-7-11-20/h14H,2-13H2,1H3
InChIKeyQKQJUBKNTIAQHQ-UHFFFAOYSA-N
MW317.90 g/mol
LogP6.24
Rot. Bonds

About CID 164528332

CID 164528332 (PubChem CID 164528332) has the molecular formula C20H28ClN and a molecular weight of 317.90 g/mol.

Molecular Properties

Compound NameCID 164528332
PubChem CID164528332
Molecular FormulaC20H28ClN
Molecular Weight317.90 g/mol
Exact Mass317.19
IUPAC Name—
SMILESCc1cnc2c(c1Cl)C1(CCCCC1)CCC21CCCCC1
InChIInChI=1S/C20H28ClN/c1-15-14-22-18-16(17(15)21)19(8-4-2-5-9-19)12-13-20(18)10-6-3-7-11-20/h14H,2-13H2,1H3
InChIKeyQKQJUBKNTIAQHQ-UHFFFAOYSA-N
XLogP6.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.90
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 164528332?
The IUPAC name of CID 164528332 (CID 164528332) is not available.
What is the SMILES notation for CID 164528332?
The canonical SMILES for CID 164528332 is Cc1cnc2c(c1Cl)C1(CCCCC1)CCC21CCCCC1.
What is the InChIKey of CID 164528332?
The InChIKey is QKQJUBKNTIAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN/c1-15-14-22-18-16(17(15)21)19(8-4-2-5-9-19)12-13-20(18)10-6-3-7-11-20/h14H,2-13H2,1H3.
What are the key properties of CID 164528332?
CID 164528332 has a molecular weight of 317.90 g/mol, XLogP of 6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164528332 is sourced from PubChem (CID 164528332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).