CID 58197019

C24H28FN3O2 — CID 58197019

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(F)ccc3C)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C24H28FN3O2/c1-15-4-7-18(25)13-20(15)16-5-6-17-14-23(10-8-19(29-3)9-11-23)24(21(17)12-16)27-22(26)28(2)30-24/h4-7,12-13,19H,8-11,14H2,1-3H3,(H2,26,27)
InChIKeyHMIWEFCAUJPAMA-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.28
Rot. Bonds2

About CID 58197019

CID 58197019 (PubChem CID 58197019) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol.

Molecular Properties

Compound NameCID 58197019
PubChem CID58197019
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(F)ccc3C)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C24H28FN3O2/c1-15-4-7-18(25)13-20(15)16-5-6-17-14-23(10-8-19(29-3)9-11-23)24(21(17)12-16)27-22(26)28(2)30-24/h4-7,12-13,19H,8-11,14H2,1-3H3,(H2,26,27)
InChIKeyHMIWEFCAUJPAMA-UHFFFAOYSA-N
XLogP4.28
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197019?
The IUPAC name of CID 58197019 (CID 58197019) is not available.
What is the SMILES notation for CID 58197019?
The canonical SMILES for CID 58197019 is COC1CCC2(CC1)Cc1ccc(-c3cc(F)ccc3C)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197019?
The InChIKey is HMIWEFCAUJPAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-15-4-7-18(25)13-20(15)16-5-6-17-14-23(10-8-19(29-3)9-11-23)24(21(17)12-16)27-22(26)28(2)30-24/h4-7,12-13,19H,8-11,14H2,1-3H3,(H2,26,27).
What are the key properties of CID 58197019?
CID 58197019 has a molecular weight of 409.51 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197019 is sourced from PubChem (CID 58197019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).