CID 92606699

C24H28ClN5O — CID 92606699

IUPAC—
SMILESCc1nn(C)cc1CN1CCC2(CC1)C[C@@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21
InChIInChI=1S/C24H28ClN5O/c1-17-18(13-28(2)27-17)14-29-10-7-23(8-11-29)15-24(16-31-23)22-4-3-9-30(22)21-6-5-19(25)12-20(21)26-24/h3-6,9,12-13,26H,7-8,10-11,14-16H2,1-2H3/t24-/m0/s1
InChIKeyRRWJQSWECJSQRU-DEOSSOPVSA-N
MW437.98 g/mol
LogP4.25
Rot. Bonds2

About CID 92606699

CID 92606699 (PubChem CID 92606699) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol.

Molecular Properties

Compound NameCID 92606699
PubChem CID92606699
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name—
SMILESCc1nn(C)cc1CN1CCC2(CC1)C[C@@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21
InChIInChI=1S/C24H28ClN5O/c1-17-18(13-28(2)27-17)14-29-10-7-23(8-11-29)15-24(16-31-23)22-4-3-9-30(22)21-6-5-19(25)12-20(21)26-24/h3-6,9,12-13,26H,7-8,10-11,14-16H2,1-2H3/t24-/m0/s1
InChIKeyRRWJQSWECJSQRU-DEOSSOPVSA-N
XLogP4.25
TPSA47.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 92606699?
The IUPAC name of CID 92606699 (CID 92606699) is not available.
What is the SMILES notation for CID 92606699?
The canonical SMILES for CID 92606699 is Cc1nn(C)cc1CN1CCC2(CC1)C[C@@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21.
What is the InChIKey of CID 92606699?
The InChIKey is RRWJQSWECJSQRU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-17-18(13-28(2)27-17)14-29-10-7-23(8-11-29)15-24(16-31-23)22-4-3-9-30(22)21-6-5-19(25)12-20(21)26-24/h3-6,9,12-13,26H,7-8,10-11,14-16H2,1-2H3/t24-/m0/s1.
What are the key properties of CID 92606699?
CID 92606699 has a molecular weight of 437.98 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 92606699 is sourced from PubChem (CID 92606699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).