CID 166161608

C14H18AlN3O4 — CID 166161608

IUPAC—
SMILESCO[C@H]1[C@@H]([Al])C(C(=O)Nc2ccnc(C(N)=O)c2)OC1(C)C
InChIInChI=1S/C14H18N3O4.Al/c1-14(2)11(20-3)7-10(21-14)13(19)17-8-4-5-16-9(6-8)12(15)18;/h4-7,10-11H,1-3H3,(H2,15,18)(H,16,17,19);/t10?,11-;/m0./s1
InChIKeyCAUUBSQBEOYIRY-GQNCZFCYSA-N
MW319.30 g/mol
LogP0.27
Rot. Bonds4

About CID 166161608

CID 166161608 (PubChem CID 166161608) has the molecular formula C14H18AlN3O4 and a molecular weight of 319.30 g/mol.

Molecular Properties

Compound NameCID 166161608
PubChem CID166161608
Molecular FormulaC14H18AlN3O4
Molecular Weight319.30 g/mol
Exact Mass319.11
IUPAC Name—
SMILESCO[C@H]1[C@@H]([Al])C(C(=O)Nc2ccnc(C(N)=O)c2)OC1(C)C
InChIInChI=1S/C14H18N3O4.Al/c1-14(2)11(20-3)7-10(21-14)13(19)17-8-4-5-16-9(6-8)12(15)18;/h4-7,10-11H,1-3H3,(H2,15,18)(H,16,17,19);/t10?,11-;/m0./s1
InChIKeyCAUUBSQBEOYIRY-GQNCZFCYSA-N
XLogP0.27
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 166161608?
The IUPAC name of CID 166161608 (CID 166161608) is not available.
What is the SMILES notation for CID 166161608?
The canonical SMILES for CID 166161608 is CO[C@H]1[C@@H]([Al])C(C(=O)Nc2ccnc(C(N)=O)c2)OC1(C)C.
What is the InChIKey of CID 166161608?
The InChIKey is CAUUBSQBEOYIRY-GQNCZFCYSA-N. The full InChI is InChI=1S/C14H18N3O4.Al/c1-14(2)11(20-3)7-10(21-14)13(19)17-8-4-5-16-9(6-8)12(15)18;/h4-7,10-11H,1-3H3,(H2,15,18)(H,16,17,19);/t10?,11-;/m0./s1.
What are the key properties of CID 166161608?
CID 166161608 has a molecular weight of 319.30 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166161608 is sourced from PubChem (CID 166161608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).