CID 67979619

C24H28N4O — CID 67979619

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(C)c3)cc1[C@@]21N=C(C)C(N)=N1
InChIInChI=1S/C24H28N4O/c1-15-10-19(14-26-13-15)17-4-5-18-12-23(8-6-20(29-3)7-9-23)24(21(18)11-17)27-16(2)22(25)28-24/h4-5,10-11,13-14,20H,6-9,12H2,1-3H3,(H2,25,28)/t20?,23?,24-/m0/s1
InChIKeyJXMIZSIVCHFRDW-BOYUCYPVSA-N
MW388.52 g/mol
LogP4.17
Rot. Bonds2

About CID 67979619

CID 67979619 (PubChem CID 67979619) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol.

Molecular Properties

Compound NameCID 67979619
PubChem CID67979619
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(C)c3)cc1[C@@]21N=C(C)C(N)=N1
InChIInChI=1S/C24H28N4O/c1-15-10-19(14-26-13-15)17-4-5-18-12-23(8-6-20(29-3)7-9-23)24(21(18)11-17)27-16(2)22(25)28-24/h4-5,10-11,13-14,20H,6-9,12H2,1-3H3,(H2,25,28)/t20?,23?,24-/m0/s1
InChIKeyJXMIZSIVCHFRDW-BOYUCYPVSA-N
XLogP4.17
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 67979619?
The IUPAC name of CID 67979619 (CID 67979619) is not available.
What is the SMILES notation for CID 67979619?
The canonical SMILES for CID 67979619 is COC1CCC2(CC1)Cc1ccc(-c3cncc(C)c3)cc1[C@@]21N=C(C)C(N)=N1.
What is the InChIKey of CID 67979619?
The InChIKey is JXMIZSIVCHFRDW-BOYUCYPVSA-N. The full InChI is InChI=1S/C24H28N4O/c1-15-10-19(14-26-13-15)17-4-5-18-12-23(8-6-20(29-3)7-9-23)24(21(18)11-17)27-16(2)22(25)28-24/h4-5,10-11,13-14,20H,6-9,12H2,1-3H3,(H2,25,28)/t20?,23?,24-/m0/s1.
What are the key properties of CID 67979619?
CID 67979619 has a molecular weight of 388.52 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67979619 is sourced from PubChem (CID 67979619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).