CID 110212556

C25H27ClN4O — CID 110212556

IUPAC—
SMILESCc1cccc(CN2CCC3(CC2)CC2(CO3)Nc3cc(Cl)ccc3-n3cccc32)n1
InChIInChI=1S/C25H27ClN4O/c1-18-4-2-5-20(27-18)15-29-12-9-24(10-13-29)16-25(17-31-24)23-6-3-11-30(23)22-8-7-19(26)14-21(22)28-25/h2-8,11,14,28H,9-10,12-13,15-17H2,1H3
InChIKeyBRWYRFQOUCHKGW-UHFFFAOYSA-N
MW434.97 g/mol
LogP4.91
Rot. Bonds2

About CID 110212556

CID 110212556 (PubChem CID 110212556) has the molecular formula C25H27ClN4O and a molecular weight of 434.97 g/mol.

Molecular Properties

Compound NameCID 110212556
PubChem CID110212556
Molecular FormulaC25H27ClN4O
Molecular Weight434.97 g/mol
Exact Mass434.19
IUPAC Name—
SMILESCc1cccc(CN2CCC3(CC2)CC2(CO3)Nc3cc(Cl)ccc3-n3cccc32)n1
InChIInChI=1S/C25H27ClN4O/c1-18-4-2-5-20(27-18)15-29-12-9-24(10-13-29)16-25(17-31-24)23-6-3-11-30(23)22-8-7-19(26)14-21(22)28-25/h2-8,11,14,28H,9-10,12-13,15-17H2,1H3
InChIKeyBRWYRFQOUCHKGW-UHFFFAOYSA-N
XLogP4.91
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 110212556?
The IUPAC name of CID 110212556 (CID 110212556) is not available.
What is the SMILES notation for CID 110212556?
The canonical SMILES for CID 110212556 is Cc1cccc(CN2CCC3(CC2)CC2(CO3)Nc3cc(Cl)ccc3-n3cccc32)n1.
What is the InChIKey of CID 110212556?
The InChIKey is BRWYRFQOUCHKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O/c1-18-4-2-5-20(27-18)15-29-12-9-24(10-13-29)16-25(17-31-24)23-6-3-11-30(23)22-8-7-19(26)14-21(22)28-25/h2-8,11,14,28H,9-10,12-13,15-17H2,1H3.
What are the key properties of CID 110212556?
CID 110212556 has a molecular weight of 434.97 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110212556 is sourced from PubChem (CID 110212556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).