4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid

C16H24N4O2Sn — CID 90333701

IUPAC4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid
SMILESC[Sn](C)(C)c1ccc2ncnc(NCCCCNC(=O)O)c2c1
InChIInChI=1S/C13H15N4O2.3CH3.Sn/c18-13(19)15-8-4-3-7-14-12-10-5-1-2-6-11(10)16-9-17-12;;;;/h2,5-6,9,15H,3-4,7-8H2,(H,18,19)(H,14,16,17);3*1H3;
InChIKeyUUQZUCXNEMVWFI-UHFFFAOYSA-N
MW423.11 g/mol
LogP2.63
Rot. Bonds7

About 4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid

4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid (PubChem CID 90333701) has the molecular formula C16H24N4O2Sn and a molecular weight of 423.11 g/mol. Its IUPAC name is 4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid.

Molecular Properties

Compound Name4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid
PubChem CID90333701
Molecular FormulaC16H24N4O2Sn
Molecular Weight423.11 g/mol
Exact Mass424.09
IUPAC Name4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid
SMILESC[Sn](C)(C)c1ccc2ncnc(NCCCCNC(=O)O)c2c1
InChIInChI=1S/C13H15N4O2.3CH3.Sn/c18-13(19)15-8-4-3-7-14-12-10-5-1-2-6-11(10)16-9-17-12;;;;/h2,5-6,9,15H,3-4,7-8H2,(H,18,19)(H,14,16,17);3*1H3;
InChIKeyUUQZUCXNEMVWFI-UHFFFAOYSA-N
XLogP2.63
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.11
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid?
The IUPAC name of 4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid (CID 90333701) is 4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid.
What is the SMILES notation for 4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid?
The canonical SMILES for 4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid is C[Sn](C)(C)c1ccc2ncnc(NCCCCNC(=O)O)c2c1.
What is the InChIKey of 4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid?
The InChIKey is UUQZUCXNEMVWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N4O2.3CH3.Sn/c18-13(19)15-8-4-3-7-14-12-10-5-1-2-6-11(10)16-9-17-12;;;;/h2,5-6,9,15H,3-4,7-8H2,(H,18,19)(H,14,16,17);3*1H3;.
What are the key properties of 4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid?
4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid has a molecular weight of 423.11 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid is sourced from PubChem (CID 90333701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).