CID 59900548

C19H25N4O2VW- — CID 59900548

IUPAC—
SMILESCc1[c-]c([NH-])cc(C)c1C(C)NC(=O)Cn1c(C)ccc(N)c1=O.[CH3-].[V+2]=[W]
InChIInChI=1S/C18H22N4O2.CH3.V.W/c1-10-7-14(19)8-11(2)17(10)13(4)21-16(23)9-22-12(3)5-6-15(20)18(22)24;;;/h5-7,13,19H,9,20H2,1-4H3,(H,21,23);1H3;;/q-2;-1;+2;
InChIKeyBLJVCRUQXMCSOH-UHFFFAOYSA-N
MW576.22 g/mol
LogP3.16
Rot. Bonds4

About CID 59900548

CID 59900548 (PubChem CID 59900548) has the molecular formula C19H25N4O2VW- and a molecular weight of 576.22 g/mol.

Molecular Properties

Compound NameCID 59900548
PubChem CID59900548
Molecular FormulaC19H25N4O2VW-
Molecular Weight576.22 g/mol
Exact Mass576.09
IUPAC Name—
SMILESCc1[c-]c([NH-])cc(C)c1C(C)NC(=O)Cn1c(C)ccc(N)c1=O.[CH3-].[V+2]=[W]
InChIInChI=1S/C18H22N4O2.CH3.V.W/c1-10-7-14(19)8-11(2)17(10)13(4)21-16(23)9-22-12(3)5-6-15(20)18(22)24;;;/h5-7,13,19H,9,20H2,1-4H3,(H,21,23);1H3;;/q-2;-1;+2;
InChIKeyBLJVCRUQXMCSOH-UHFFFAOYSA-N
XLogP3.16
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.22
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59900548?
The IUPAC name of CID 59900548 (CID 59900548) is not available.
What is the SMILES notation for CID 59900548?
The canonical SMILES for CID 59900548 is Cc1[c-]c([NH-])cc(C)c1C(C)NC(=O)Cn1c(C)ccc(N)c1=O.[CH3-].[V+2]=[W].
What is the InChIKey of CID 59900548?
The InChIKey is BLJVCRUQXMCSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.CH3.V.W/c1-10-7-14(19)8-11(2)17(10)13(4)21-16(23)9-22-12(3)5-6-15(20)18(22)24;;;/h5-7,13,19H,9,20H2,1-4H3,(H,21,23);1H3;;/q-2;-1;+2;.
What are the key properties of CID 59900548?
CID 59900548 has a molecular weight of 576.22 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59900548 is sourced from PubChem (CID 59900548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).