CID 130444088

C19H21ClN6O2 — CID 130444088

IUPAC—
SMILESNc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCC4(CCC4)C2)NC3=O)ncn1
InChIInChI=1S/C19H21ClN6O2/c20-11-7-12(24-14-8-13(21)22-10-23-14)17(28)26-15(11)16(27)25-19(26)6-2-5-18(9-19)3-1-4-18/h7-8,10H,1-6,9H2,(H,25,27)(H3,21,22,23,24)
InChIKeyHZOPSKZOAHEUAB-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.76
Rot. Bonds2

About CID 130444088

CID 130444088 (PubChem CID 130444088) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol.

Molecular Properties

Compound NameCID 130444088
PubChem CID130444088
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name—
SMILESNc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCC4(CCC4)C2)NC3=O)ncn1
InChIInChI=1S/C19H21ClN6O2/c20-11-7-12(24-14-8-13(21)22-10-23-14)17(28)26-15(11)16(27)25-19(26)6-2-5-18(9-19)3-1-4-18/h7-8,10H,1-6,9H2,(H,25,27)(H3,21,22,23,24)
InChIKeyHZOPSKZOAHEUAB-UHFFFAOYSA-N
XLogP2.76
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 130444088?
The IUPAC name of CID 130444088 (CID 130444088) is not available.
What is the SMILES notation for CID 130444088?
The canonical SMILES for CID 130444088 is Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCC4(CCC4)C2)NC3=O)ncn1.
What is the InChIKey of CID 130444088?
The InChIKey is HZOPSKZOAHEUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c20-11-7-12(24-14-8-13(21)22-10-23-14)17(28)26-15(11)16(27)25-19(26)6-2-5-18(9-19)3-1-4-18/h7-8,10H,1-6,9H2,(H,25,27)(H3,21,22,23,24).
What are the key properties of CID 130444088?
CID 130444088 has a molecular weight of 400.87 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 130444088 is sourced from PubChem (CID 130444088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).