CID 58281285

C25H30ClN3 — CID 58281285

IUPAC—
SMILES[CH]CC1CCN(c2cc(C)nc3c2c(C)c(C)n3-c2c(C)cc(Cl)cc2C)CC1
InChIInChI=1S/C25H30ClN3/c1-7-20-8-10-28(11-9-20)22-14-17(4)27-25-23(22)18(5)19(6)29(25)24-15(2)12-21(26)13-16(24)3/h1,12-14,20H,7-11H2,2-6H3
InChIKeyKCJKWCKNGBLJOW-UHFFFAOYSA-N
MW407.99 g/mol
LogP6.54
Rot. Bonds3

About CID 58281285

CID 58281285 (PubChem CID 58281285) has the molecular formula C25H30ClN3 and a molecular weight of 407.99 g/mol.

Molecular Properties

Compound NameCID 58281285
PubChem CID58281285
Molecular FormulaC25H30ClN3
Molecular Weight407.99 g/mol
Exact Mass407.21
IUPAC Name—
SMILES[CH]CC1CCN(c2cc(C)nc3c2c(C)c(C)n3-c2c(C)cc(Cl)cc2C)CC1
InChIInChI=1S/C25H30ClN3/c1-7-20-8-10-28(11-9-20)22-14-17(4)27-25-23(22)18(5)19(6)29(25)24-15(2)12-21(26)13-16(24)3/h1,12-14,20H,7-11H2,2-6H3
InChIKeyKCJKWCKNGBLJOW-UHFFFAOYSA-N
XLogP6.54
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.99
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 58281285?
The IUPAC name of CID 58281285 (CID 58281285) is not available.
What is the SMILES notation for CID 58281285?
The canonical SMILES for CID 58281285 is [CH]CC1CCN(c2cc(C)nc3c2c(C)c(C)n3-c2c(C)cc(Cl)cc2C)CC1.
What is the InChIKey of CID 58281285?
The InChIKey is KCJKWCKNGBLJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3/c1-7-20-8-10-28(11-9-20)22-14-17(4)27-25-23(22)18(5)19(6)29(25)24-15(2)12-21(26)13-16(24)3/h1,12-14,20H,7-11H2,2-6H3.
What are the key properties of CID 58281285?
CID 58281285 has a molecular weight of 407.99 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58281285 is sourced from PubChem (CID 58281285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).