CID 46953207

C24H28ClN5O — CID 46953207

IUPAC—
SMILESCc1nn(C)cc1CN1CCC2(CC1)CC1(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
InChIKeyRRWJQSWECJSQRU-UHFFFAOYSA-N
MW437.98 g/mol
LogP4.25
Rot. Bonds2

About CID 46953207

CID 46953207 (PubChem CID 46953207) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol.

Molecular Properties

Compound NameCID 46953207
PubChem CID46953207
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name—
SMILESCc1nn(C)cc1CN1CCC2(CC1)CC1(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
InChIKeyRRWJQSWECJSQRU-UHFFFAOYSA-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 46953207?
The IUPAC name of CID 46953207 (CID 46953207) is not available.
What is the SMILES notation for CID 46953207?
The canonical SMILES for CID 46953207 is Cc1nn(C)cc1CN1CCC2(CC1)CC1(CO2)Nc2cc(Cl)ccc2-n2cccc21.
What is the InChIKey of CID 46953207?
The InChIKey is RRWJQSWECJSQRU-UHFFFAOYSA-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.
What are the key properties of CID 46953207?
CID 46953207 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 46953207 is sourced from PubChem (CID 46953207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).